5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide

C18H27ClN2OS — CID 164638414

IUPAC5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide
SMILESCC(C)N1C[C@H](CNC(=O)c2ccc(Cl)s2)C2(CCCCC2)C1
InChIInChI=1S/C18H27ClN2OS/c1-13(2)21-11-14(18(12-21)8-4-3-5-9-18)10-20-17(22)15-6-7-16(19)23-15/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyWSUTVGGTCGIUMV-AWEZNQCLSA-N
MW354.95 g/mol
LogP4.42
Rot. Bonds4

About 5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 164638414) has the molecular formula C18H27ClN2OS and a molecular weight of 354.95 g/mol. Its IUPAC name is 5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide
PubChem CID164638414
Molecular FormulaC18H27ClN2OS
Molecular Weight354.95 g/mol
Exact Mass354.15
IUPAC Name5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide
SMILESCC(C)N1C[C@H](CNC(=O)c2ccc(Cl)s2)C2(CCCCC2)C1
InChIInChI=1S/C18H27ClN2OS/c1-13(2)21-11-14(18(12-21)8-4-3-5-9-18)10-20-17(22)15-6-7-16(19)23-15/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyWSUTVGGTCGIUMV-AWEZNQCLSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.95
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide (CID 164638414) is 5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide is CC(C)N1C[C@H](CNC(=O)c2ccc(Cl)s2)C2(CCCCC2)C1.
What is the InChIKey of 5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is WSUTVGGTCGIUMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27ClN2OS/c1-13(2)21-11-14(18(12-21)8-4-3-5-9-18)10-20-17(22)15-6-7-16(19)23-15/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 354.95 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 164638414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).