4-amino-N-cyclopentyl-4-sulfanylidenebutanamide

C9H16N2OS — CID 82112394

IUPAC4-amino-N-cyclopentyl-4-sulfanylidenebutanamide
SMILESNC(=S)CCC(=O)NC1CCCC1
InChIInChI=1S/C9H16N2OS/c10-8(13)5-6-9(12)11-7-3-1-2-4-7/h7H,1-6H2,(H2,10,13)(H,11,12)
InChIKeyUOVPMDKUFJSXMO-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.11
Rot. Bonds4

About 4-amino-N-cyclopentyl-4-sulfanylidenebutanamide

4-amino-N-cyclopentyl-4-sulfanylidenebutanamide (PubChem CID 82112394) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-4-sulfanylidenebutanamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-4-sulfanylidenebutanamide
PubChem CID82112394
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-amino-N-cyclopentyl-4-sulfanylidenebutanamide
SMILESNC(=S)CCC(=O)NC1CCCC1
InChIInChI=1S/C9H16N2OS/c10-8(13)5-6-9(12)11-7-3-1-2-4-7/h7H,1-6H2,(H2,10,13)(H,11,12)
InChIKeyUOVPMDKUFJSXMO-UHFFFAOYSA-N
XLogP1.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide
CID 43186296
N,N'-dicyclopropylbutanediamide
CID 5225156
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
N'-cyclopentylpropanediamide
CID 126996415
3-(carbamoylamino)-N-cyclohexylpropanamide
CID 47116358
3-amino-N-(oxepan-4-yl)-3-sulfanylidenepropanamide
CID 130608137
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide
CID 60730257
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cycloheptylacetamide
CID 55024099
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
CID 60729940
3-chloro-N-cycloheptylpropanamide
CID 5152151
N-cyclooctylbutanamide
CID 4614062
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-4-sulfanylidenebutanamide?
The IUPAC name of 4-amino-N-cyclopentyl-4-sulfanylidenebutanamide (CID 82112394) is 4-amino-N-cyclopentyl-4-sulfanylidenebutanamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-4-sulfanylidenebutanamide?
The canonical SMILES for 4-amino-N-cyclopentyl-4-sulfanylidenebutanamide is NC(=S)CCC(=O)NC1CCCC1.
What is the InChIKey of 4-amino-N-cyclopentyl-4-sulfanylidenebutanamide?
The InChIKey is UOVPMDKUFJSXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c10-8(13)5-6-9(12)11-7-3-1-2-4-7/h7H,1-6H2,(H2,10,13)(H,11,12).
What are the key properties of 4-amino-N-cyclopentyl-4-sulfanylidenebutanamide?
4-amino-N-cyclopentyl-4-sulfanylidenebutanamide has a molecular weight of 200.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-4-sulfanylidenebutanamide is sourced from PubChem (CID 82112394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).