3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide

C18H28N2OS — CID 120502289

IUPAC3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide
SMILESCc1ccc(SC2(CNC(=O)C(C)C(C)N)CCCC2)cc1
InChIInChI=1S/C18H28N2OS/c1-13-6-8-16(9-7-13)22-18(10-4-5-11-18)12-20-17(21)14(2)15(3)19/h6-9,14-15H,4-5,10-12,19H2,1-3H3,(H,20,21)
InChIKeyFAZNFGZCOVOVNY-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.50
Rot. Bonds6

About 3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide

3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide (PubChem CID 120502289) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide
PubChem CID120502289
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide
SMILESCc1ccc(SC2(CNC(=O)C(C)C(C)N)CCCC2)cc1
InChIInChI=1S/C18H28N2OS/c1-13-6-8-16(9-7-13)22-18(10-4-5-11-18)12-20-17(21)14(2)15(3)19/h6-9,14-15H,4-5,10-12,19H2,1-3H3,(H,20,21)
InChIKeyFAZNFGZCOVOVNY-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride
CID 119820132
2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride
CID 119344397
2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide
CID 120989523
N-[(1-hydroxycyclohexyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 131912764
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide
CID 119820121
4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119820136
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119820120
2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide
CID 122146653
3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide
CID 103581061
3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride
CID 120500104
1-(4-hydroxy-2-methylbutyl)-3-[(1-phenylsulfanylcyclopentyl)methyl]urea
CID 111506198
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide (CID 120502289) is 3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide is Cc1ccc(SC2(CNC(=O)C(C)C(C)N)CCCC2)cc1.
What is the InChIKey of 3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide?
The InChIKey is FAZNFGZCOVOVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-13-6-8-16(9-7-13)22-18(10-4-5-11-18)12-20-17(21)14(2)15(3)19/h6-9,14-15H,4-5,10-12,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide?
3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide has a molecular weight of 320.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide is sourced from PubChem (CID 120502289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).