N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide

C11H22N2OS — CID 107034071

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C11H22N2OS/c1-9(15)10(14)12-8-11(13(2)3)6-4-5-7-11/h9,15H,4-8H2,1-3H3,(H,12,14)
InChIKeyZGFICUVAVOYHEH-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.30
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide (PubChem CID 107034071) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
PubChem CID107034071
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C11H22N2OS/c1-9(15)10(14)12-8-11(13(2)3)6-4-5-7-11/h9,15H,4-8H2,1-3H3,(H,12,14)
InChIKeyZGFICUVAVOYHEH-UHFFFAOYSA-N
XLogP1.30
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 78996361
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
CID 103516127
4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499360
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
CID 105417065
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide (CID 107034071) is N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide is CC(S)C(=O)NCC1(N(C)C)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide?
The InChIKey is ZGFICUVAVOYHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(15)10(14)12-8-11(13(2)3)6-4-5-7-11/h9,15H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide has a molecular weight of 230.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide is sourced from PubChem (CID 107034071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).