N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride

C16H25ClN2OS — CID 119628222

IUPACN-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1(Sc2ccccc2)CCCC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-15(2,17)12-18-14(19)16(10-6-7-11-16)20-13-8-4-3-5-9-13;/h3-5,8-9H,6-7,10-12,17H2,1-2H3,(H,18,19);1H
InChIKeyNFAMGGCSNLXEMF-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.37
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119628222) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119628222
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC NameN-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1(Sc2ccccc2)CCCC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-15(2,17)12-18-14(19)16(10-6-7-11-16)20-13-8-4-3-5-9-13;/h3-5,8-9H,6-7,10-12,17H2,1-2H3,(H,18,19);1H
InChIKeyNFAMGGCSNLXEMF-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide
CID 119383808
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119782926
N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide
CID 119629469
3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]propanoic acid
CID 119351204
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-phenylsulfanylcyclopentane-1-carboxamide
CID 86933683
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119626480
N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide
CID 97250439
1-amino-N-(2,2-dimethyl-3-phenylpropyl)cyclopentane-1-carboxamide
CID 119329656
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride (CID 119628222) is N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride is CC(C)(N)CNC(=O)C1(Sc2ccccc2)CCCC1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is NFAMGGCSNLXEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-15(2,17)12-18-14(19)16(10-6-7-11-16)20-13-8-4-3-5-9-13;/h3-5,8-9H,6-7,10-12,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119628222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).