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

C19H29ClN2OS — CID 119782648

IUPAC3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCC2(Sc3ccccc3)CCCC2)C1
InChIInChI=1S/C19H28N2OS.ClH/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);1H
InChIKeyQXWITMPDXBHSNJ-UHFFFAOYSA-N
MW368.97 g/mol
LogP4.15
Rot. Bonds5

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

3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119782648) has the molecular formula C19H29ClN2OS and a molecular weight of 368.97 g/mol. Its IUPAC name is 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119782648
Molecular FormulaC19H29ClN2OS
Molecular Weight368.97 g/mol
Exact Mass368.17
IUPAC Name3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCC2(Sc3ccccc3)CCCC2)C1
InChIInChI=1S/C19H28N2OS.ClH/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);1H
InChIKeyQXWITMPDXBHSNJ-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.97
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide
CID 119782649
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
N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119323172
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119738339
3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
3-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119799668
N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119323178
3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765192
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide
CID 119782657

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119782648) is 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)NCC2(Sc3ccccc3)CCCC2)C1.
What is the InChIKey of 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is QXWITMPDXBHSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS.ClH/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);1H.
What are the key properties of 3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 368.97 g/mol, XLogP of 4.15, 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;hydrochloride is sourced from PubChem (CID 119782648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).