(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one

C19H22N2OS — CID 97415569

IUPAC(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCN1C(=O)C2(CCN(Cc3cccs3)CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H22N2OS/c1-20-17(15-6-3-2-4-7-15)19(18(20)22)9-11-21(12-10-19)14-16-8-5-13-23-16/h2-8,13,17H,9-12,14H2,1H3/t17-/m0/s1
InChIKeyLNIOPKFIAQDRIF-KRWDZBQOSA-N
MW326.46 g/mol
LogP3.54
Rot. Bonds3

About (1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one

(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 97415569) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is (1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID97415569
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCN1C(=O)C2(CCN(Cc3cccs3)CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H22N2OS/c1-20-17(15-6-3-2-4-7-15)19(18(20)22)9-11-21(12-10-19)14-16-8-5-13-23-16/h2-8,13,17H,9-12,14H2,1H3/t17-/m0/s1
InChIKeyLNIOPKFIAQDRIF-KRWDZBQOSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155841350
2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 131650261
(1S)-2-methyl-7-[(5-methylfuran-2-yl)methyl]-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415576
(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97139547
1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136009
7-(furan-3-ylmethyl)-2-methyl-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155837734
2-methyl-7-[(5-methylfuran-2-yl)methyl]-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155833321
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
CID 104695288
1-methyl-4-propan-2-yl-9-(thiophen-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495694
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
(3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 164634409

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of (1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one (CID 97415569) is (1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for (1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for (1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one is CN1C(=O)C2(CCN(Cc3cccs3)CC2)[C@@H]1c1ccccc1.
What is the InChIKey of (1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is LNIOPKFIAQDRIF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-20-17(15-6-3-2-4-7-15)19(18(20)22)9-11-21(12-10-19)14-16-8-5-13-23-16/h2-8,13,17H,9-12,14H2,1H3/t17-/m0/s1.
What are the key properties of (1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 326.46 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 97415569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).