(Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide

C9H16N2OS — CID 176678235

IUPAC(Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide
SMILESC/C=C(\S)C(=O)N[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C9H16N2OS/c1-2-8(13)9(12)11-7-4-3-6(10)5-7/h2,6-7,13H,3-5,10H2,1H3,(H,11,12)/b8-2-/t6-,7+/m1/s1
InChIKeyOJICRDLRPWNTAV-VKFSICQESA-N
MW200.31 g/mol
LogP0.82
Rot. Bonds2

About (Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide

(Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide (PubChem CID 176678235) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is (Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide
PubChem CID176678235
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name(Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide
SMILESC/C=C(\S)C(=O)N[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C9H16N2OS/c1-2-8(13)9(12)11-7-4-3-6(10)5-7/h2,6-7,13H,3-5,10H2,1H3,(H,11,12)/b8-2-/t6-,7+/m1/s1
InChIKeyOJICRDLRPWNTAV-VKFSICQESA-N
XLogP0.82
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.82
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

N-(3-aminocyclopentyl)propanamide
CID 83619264
[(1S,3R)-3-aminocyclopentyl]carbamic acid
CID 67513100
(3-aminocyclopentyl)carbamic acid
CID 69243227
[(3R)-3-aminocyclopentyl]carbamic acid
CID 68775558
N-(3-aminocyclopentyl)-5-methylhexanamide
CID 115272906
N-(3-aminocyclopentyl)-2-(1-methylcyclopropyl)acetamide
CID 130871629
N-(3-aminocyclopentyl)-4,4-dimethylpentanamide
CID 115272907
(Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide
CID 176678198
N-(3-aminocyclopentyl)-2-ethylbutanamide
CID 115267780
N-(3-aminocyclopentyl)-2-cyclopentylacetamide
CID 115272899
2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid
CID 130620105
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide?
The IUPAC name of (Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide (CID 176678235) is (Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide.
What is the SMILES notation for (Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide?
The canonical SMILES for (Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide is C/C=C(\S)C(=O)N[C@H]1CC[C@@H](N)C1.
What is the InChIKey of (Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide?
The InChIKey is OJICRDLRPWNTAV-VKFSICQESA-N. The full InChI is InChI=1S/C9H16N2OS/c1-2-8(13)9(12)11-7-4-3-6(10)5-7/h2,6-7,13H,3-5,10H2,1H3,(H,11,12)/b8-2-/t6-,7+/m1/s1.
What are the key properties of (Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide?
(Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide has a molecular weight of 200.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1S,3R)-3-aminocyclopentyl]-2-sulfanylbut-2-enamide is sourced from PubChem (CID 176678235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).