(Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide

C9H16N2OS — CID 88958739

IUPAC(Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide
SMILESCN/C=C(\S)C(=O)NC1CCCC1
InChIInChI=1S/C9H16N2OS/c1-10-6-8(13)9(12)11-7-4-2-3-5-7/h6-7,10,13H,2-5H2,1H3,(H,11,12)/b8-6-
InChIKeyLVXYINWARJEDMZ-VURMDHGXSA-N
MW200.31 g/mol
LogP1.04
Rot. Bonds3

About (Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide

(Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide (PubChem CID 88958739) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is (Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide
PubChem CID88958739
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name(Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide
SMILESCN/C=C(\S)C(=O)NC1CCCC1
InChIInChI=1S/C9H16N2OS/c1-10-6-8(13)9(12)11-7-4-2-3-5-7/h6-7,10,13H,2-5H2,1H3,(H,11,12)/b8-6-
InChIKeyLVXYINWARJEDMZ-VURMDHGXSA-N
XLogP1.04
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(E)-N-cyclopentyl-2-methylbut-2-enamide
CID 89351716
N-cyclohexyl-2-oxopropanamide
CID 12861109
(E)-N-cyclohexyl-2-methylbut-2-enamide
CID 14316395
(Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide
CID 176678198
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963
cyclobutylcarbamothioic S-acid
CID 115169770
N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
CID 2975425
N-cyclooctyl-2-hydrazinyl-2-oxoacetamide
CID 43163933
(Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide
CID 176678235
2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide
CID 100938462
N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid
CID 175055430

Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide?
The IUPAC name of (Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide (CID 88958739) is (Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide.
What is the SMILES notation for (Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide?
The canonical SMILES for (Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide is CN/C=C(\S)C(=O)NC1CCCC1.
What is the InChIKey of (Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide?
The InChIKey is LVXYINWARJEDMZ-VURMDHGXSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-10-6-8(13)9(12)11-7-4-2-3-5-7/h6-7,10,13H,2-5H2,1H3,(H,11,12)/b8-6-.
What are the key properties of (Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide?
(Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide has a molecular weight of 200.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclopentyl-3-(methylamino)-2-sulfanylprop-2-enamide is sourced from PubChem (CID 88958739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).