4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide

C16H24N2OS — CID 119323040

IUPAC4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
SMILESNCCCC(=O)NCC1(Sc2ccccc2)CCCC1
InChIInChI=1S/C16H24N2OS/c17-12-6-9-15(19)18-13-16(10-4-5-11-16)20-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13,17H2,(H,18,19)
InChIKeyYNZIFMZQEAIRMI-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.95
Rot. Bonds7

About 4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide

4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide (PubChem CID 119323040) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
PubChem CID119323040
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
SMILESNCCCC(=O)NCC1(Sc2ccccc2)CCCC1
InChIInChI=1S/C16H24N2OS/c17-12-6-9-15(19)18-13-16(10-4-5-11-16)20-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13,17H2,(H,18,19)
InChIKeyYNZIFMZQEAIRMI-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119782643
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride
CID 119344397
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide
CID 119323030
3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide
CID 120610683
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
CID 119323029
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
CID 119884570
4,4,4-trifluoro-N-[(4-phenylsulfanyloxan-4-yl)methyl]butanamide
CID 90604934
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 4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide (CID 119323040) is 4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide is NCCCC(=O)NCC1(Sc2ccccc2)CCCC1.
What is the InChIKey of 4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide?
The InChIKey is YNZIFMZQEAIRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c17-12-6-9-15(19)18-13-16(10-4-5-11-16)20-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13,17H2,(H,18,19).
What are the key properties of 4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide?
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide has a molecular weight of 292.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide is sourced from PubChem (CID 119323040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).