3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide

C19H28N2OS — CID 119782649

IUPAC3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2(Sc3ccccc3)CCCC2)C1
InChIInChI=1S/C19H28N2OS/c20-16-8-6-7-15(13-16)18(22)21-14-19(11-4-5-12-19)23-17-9-2-1-3-10-17/h1-3,9-10,15-16H,4-8,11-14,20H2,(H,21,22)
InChIKeyMXDHUABZUOIFNS-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.73
Rot. Bonds5

About 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide

3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide (PubChem CID 119782649) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide
PubChem CID119782649
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC Name3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2(Sc3ccccc3)CCCC2)C1
InChIInChI=1S/C19H28N2OS/c20-16-8-6-7-15(13-16)18(22)21-14-19(11-4-5-12-19)23-17-9-2-1-3-10-17/h1-3,9-10,15-16H,4-8,11-14,20H2,(H,21,22)
InChIKeyMXDHUABZUOIFNS-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782648
3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782888
9-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989527
3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119323172
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide
CID 119782657
3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119738339
3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 103812995
3-amino-N-(1-phenylcyclopentyl)cyclohexane-1-carboxamide
CID 119786235
3-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119799668

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide (CID 119782649) is 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCC2(Sc3ccccc3)CCCC2)C1.
What is the InChIKey of 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is MXDHUABZUOIFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS/c20-16-8-6-7-15(13-16)18(22)21-14-19(11-4-5-12-19)23-17-9-2-1-3-10-17/h1-3,9-10,15-16H,4-8,11-14,20H2,(H,21,22).
What are the key properties of 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide?
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 332.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119782649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).