1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate

C23H34N3O3S- — CID 155409697

IUPAC1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate
SMILESCC(CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CC2)C1=O)S(=O)[O-]
InChIInChI=1S/C23H35N3O3S/c1-18(30(28)29)15-25-17-22(26(21(25)27)16-19-9-10-19)11-13-23(14-12-22,24(2)3)20-7-5-4-6-8-20/h4-8,18-19H,9-17H2,1-3H3,(H,28,29)/p-1
InChIKeyTZZDKOGNLUHKIP-UHFFFAOYSA-M
MW432.61 g/mol
LogP3.17
Rot. Bonds7

About 1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate

1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate (PubChem CID 155409697) has the molecular formula C23H34N3O3S- and a molecular weight of 432.61 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate
PubChem CID155409697
Molecular FormulaC23H34N3O3S-
Molecular Weight432.61 g/mol
Exact Mass432.23
IUPAC Name1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate
SMILESCC(CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CC2)C1=O)S(=O)[O-]
InChIInChI=1S/C23H35N3O3S/c1-18(30(28)29)15-25-17-22(26(21(25)27)16-19-9-10-19)11-13-23(14-12-22,24(2)3)20-7-5-4-6-8-20/h4-8,18-19H,9-17H2,1-3H3,(H,28,29)/p-1
InChIKeyTZZDKOGNLUHKIP-UHFFFAOYSA-M
XLogP3.17
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1-[1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]pyrrolidine-2,5-dione
CID 130202953
1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 130202422
1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130202950
5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile
CID 157213807
1-(cyclobutylmethyl)-3-[3-(3,4-dihydroxypyrrolidin-1-yl)-3-oxopropyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201035
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 130200593
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 130200463
1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
CID 157220490
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 158020054
1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201227
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157453344
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157157133

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate?
The IUPAC name of 1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate (CID 155409697) is 1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate is CC(CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CC2)C1=O)S(=O)[O-].
What is the InChIKey of 1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate?
The InChIKey is TZZDKOGNLUHKIP-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H35N3O3S/c1-18(30(28)29)15-25-17-22(26(21(25)27)16-19-9-10-19)11-13-23(14-12-22,24(2)3)20-7-5-4-6-8-20/h4-8,18-19H,9-17H2,1-3H3,(H,28,29)/p-1.
What are the key properties of 1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate?
1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate has a molecular weight of 432.61 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate is sourced from PubChem (CID 155409697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).