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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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).