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

C17H26N2OS — CID 119782643

IUPAC4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
SMILESCNCCCC(=O)NCC1(Sc2ccccc2)CCCC1
InChIInChI=1S/C17H26N2OS/c1-18-13-7-10-16(20)19-14-17(11-5-6-12-17)21-15-8-3-2-4-9-15/h2-4,8-9,18H,5-7,10-14H2,1H3,(H,19,20)
InChIKeyZKUCHBLGHZAGRQ-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.21
Rot. Bonds8

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

4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide (PubChem CID 119782643) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
PubChem CID119782643
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
SMILESCNCCCC(=O)NCC1(Sc2ccccc2)CCCC1
InChIInChI=1S/C17H26N2OS/c1-18-13-7-10-16(20)19-14-17(11-5-6-12-17)21-15-8-3-2-4-9-15/h2-4,8-9,18H,5-7,10-14H2,1H3,(H,19,20)
InChIKeyZKUCHBLGHZAGRQ-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
1,2-dimethyl-3-[(1-phenylsulfanylcyclopentyl)methyl]guanidine
CID 111112058
2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride
CID 119344397
3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide
CID 120610683
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
N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119782670
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 111618857

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide (CID 119782643) is 4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide is CNCCCC(=O)NCC1(Sc2ccccc2)CCCC1.
What is the InChIKey of 4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide?
The InChIKey is ZKUCHBLGHZAGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-18-13-7-10-16(20)19-14-17(11-5-6-12-17)21-15-8-3-2-4-9-15/h2-4,8-9,18H,5-7,10-14H2,1H3,(H,19,20).
What are the key properties of 4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide?
4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide has a molecular weight of 306.47 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide is sourced from PubChem (CID 119782643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).