3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide

C11H21N3OS — CID 83109897

IUPAC3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
SMILESCN(C)C1(CNC(=O)CC(N)=S)CCCC1
InChIInChI=1S/C11H21N3OS/c1-14(2)11(5-3-4-6-11)8-13-10(15)7-9(12)16/h3-8H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyVORJPLGDJRGKJU-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.65
Rot. Bonds5

About 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide

3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide (PubChem CID 83109897) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
PubChem CID83109897
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
SMILESCN(C)C1(CNC(=O)CC(N)=S)CCCC1
InChIInChI=1S/C11H21N3OS/c1-14(2)11(5-3-4-6-11)8-13-10(15)7-9(12)16/h3-8H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyVORJPLGDJRGKJU-UHFFFAOYSA-N
XLogP0.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105418009
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
2-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]acetamide
CID 83107877
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide
CID 83112832
1-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]cyclobutane-1-carboxamide
CID 83111018
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 20995004
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide (CID 83109897) is 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide is CN(C)C1(CNC(=O)CC(N)=S)CCCC1.
What is the InChIKey of 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide?
The InChIKey is VORJPLGDJRGKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-14(2)11(5-3-4-6-11)8-13-10(15)7-9(12)16/h3-8H2,1-2H3,(H2,12,16)(H,13,15).
What are the key properties of 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide?
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide has a molecular weight of 243.38 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide is sourced from PubChem (CID 83109897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).