N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide

C14H20N2OS — CID 119383808

IUPACN-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide
SMILESNCCNC(=O)C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C14H20N2OS/c15-10-11-16-13(17)14(8-4-5-9-14)18-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2,(H,16,17)
InChIKeyVVOZEZXENASVFG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.17
Rot. Bonds5

About N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide

N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide (PubChem CID 119383808) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide
PubChem CID119383808
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide
SMILESNCCNC(=O)C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C14H20N2OS/c15-10-11-16-13(17)14(8-4-5-9-14)18-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2,(H,16,17)
InChIKeyVVOZEZXENASVFG-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride
CID 119628222
3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]propanoic acid
CID 119351204
N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide
CID 119430614
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119351837
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-phenylsulfanylcyclopentane-1-carboxamide
CID 86933683
N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide
CID 97250439

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide (CID 119383808) is N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide is NCCNC(=O)C1(Sc2ccccc2)CCCC1.
What is the InChIKey of N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide?
The InChIKey is VVOZEZXENASVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c15-10-11-16-13(17)14(8-4-5-9-14)18-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2,(H,16,17).
What are the key properties of N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide?
N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 119383808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).