N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide

C17H26N2OS — CID 119430614

IUPACN-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide
SMILESCNCCCNC(=O)C1(Sc2ccc(C)cc2)CCCC1
InChIInChI=1S/C17H26N2OS/c1-14-6-8-15(9-7-14)21-17(10-3-4-11-17)16(20)19-13-5-12-18-2/h6-9,18H,3-5,10-13H2,1-2H3,(H,19,20)
InChIKeyVMJFRJTXNQFJNE-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.13
Rot. Bonds7

About N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide

N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide (PubChem CID 119430614) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide
PubChem CID119430614
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide
SMILESCNCCCNC(=O)C1(Sc2ccc(C)cc2)CCCC1
InChIInChI=1S/C17H26N2OS/c1-14-6-8-15(9-7-14)21-17(10-3-4-11-17)16(20)19-13-5-12-18-2/h6-9,18H,3-5,10-13H2,1-2H3,(H,19,20)
InChIKeyVMJFRJTXNQFJNE-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.13
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

3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]propanoic acid
CID 119351204
1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119534547
1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
CID 119556086
N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide
CID 119383808
1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide
CID 55436081
cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676919
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
[3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
CID 119395809
1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide
CID 119288961
N-hydroxy-4-(4-methylphenyl)sulfanylthiane-4-carboxamide;molecular oxygen
CID 91460282
N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride
CID 119628222
2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride
CID 119820132

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide (CID 119430614) is N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide is CNCCCNC(=O)C1(Sc2ccc(C)cc2)CCCC1.
What is the InChIKey of N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide?
The InChIKey is VMJFRJTXNQFJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-14-6-8-15(9-7-14)21-17(10-3-4-11-17)16(20)19-13-5-12-18-2/h6-9,18H,3-5,10-13H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide?
N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide has a molecular weight of 306.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 119430614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).