(5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one

C16H28N2OS — CID 26405993

IUPAC(5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCSCCCN1CC[C@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C16H28N2OS/c1-20-11-3-8-17-10-7-16(13-17)6-2-9-18(15(16)19)12-14-4-5-14/h14H,2-13H2,1H3/t16-/m1/s1
InChIKeyKQFIVBMEDQPGLI-MRXNPFEDSA-N
MW296.48 g/mol
LogP2.46
Rot. Bonds6

About (5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 26405993) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is (5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID26405993
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name(5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCSCCCN1CC[C@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C16H28N2OS/c1-20-11-3-8-17-10-7-16(13-17)6-2-9-18(15(16)19)12-14-4-5-14/h14H,2-13H2,1H3/t16-/m1/s1
InChIKeyKQFIVBMEDQPGLI-MRXNPFEDSA-N
XLogP2.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298850
(5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97147308
(5R)-7-(cyclobutylmethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97142207
(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 25313167
7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119058394
(5S)-2-[(2-amino-3-pyridinyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97141834
(5R)-7-(cyclopropylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26318692
(5S)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407443
2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclohexyl-N-methylacetamide
CID 72866271
(5R)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407445
(5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97110619

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one (CID 26405993) is (5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one is CSCCCN1CC[C@]2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of (5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KQFIVBMEDQPGLI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-20-11-3-8-17-10-7-16(13-17)6-2-9-18(15(16)19)12-14-4-5-14/h14H,2-13H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 296.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 26405993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).