(5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one

C17H26N2OS — CID 97375554

IUPAC(5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccc(C)s2)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C17H26N2OS/c1-4-15-17(10-8-16(20)18(17)3)9-5-11-19(15)12-14-7-6-13(2)21-14/h6-7,15H,4-5,8-12H2,1-3H3/t15-,17-/m0/s1
InChIKeyJCONYAJSCQCLMQ-RDJZCZTQSA-N
MW306.47 g/mol
LogP3.42
Rot. Bonds3

About (5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one

(5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97375554) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97375554
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name(5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccc(C)s2)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C17H26N2OS/c1-4-15-17(10-8-16(20)18(17)3)9-5-11-19(15)12-14-7-6-13(2)21-14/h6-7,15H,4-5,8-12H2,1-3H3/t15-,17-/m0/s1
InChIKeyJCONYAJSCQCLMQ-RDJZCZTQSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one (CID 97375554) is (5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(Cc2ccc(C)s2)CCC[C@]12CCC(=O)N2C.
What is the InChIKey of (5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is JCONYAJSCQCLMQ-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-15-17(10-8-16(20)18(17)3)9-5-11-19(15)12-14-7-6-13(2)21-14/h6-7,15H,4-5,8-12H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 306.47 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97375554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).