(Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide

C9H16N2OS — CID 176678198

IUPAC(Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide
SMILESC/C=C(\S)C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C9H16N2OS/c1-2-8(13)9(12)11-7-4-3-5-10-6-7/h2,7,10,13H,3-6H2,1H3,(H,11,12)/b8-2-/t7-/m0/s1
InChIKeyMRSNKFXCNRDNFA-CRCMBFRGSA-N
MW200.31 g/mol
LogP0.69
Rot. Bonds2

About (Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide

(Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide (PubChem CID 176678198) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is (Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide
PubChem CID176678198
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name(Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide
SMILESC/C=C(\S)C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C9H16N2OS/c1-2-8(13)9(12)11-7-4-3-5-10-6-7/h2,7,10,13H,3-6H2,1H3,(H,11,12)/b8-2-/t7-/m0/s1
InChIKeyMRSNKFXCNRDNFA-CRCMBFRGSA-N
XLogP0.69
TPSA41.13 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 ≤ 50.69
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'}

Analyze (Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-piperidin-3-ylpropanamide
CID 3520588
3-methyl-N-piperidin-3-ylbut-2-enamide
CID 63321543
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
methyl 3-oxo-3-(piperidin-3-ylamino)propanoate
CID 117126379
2-cyclobutylidene-N-[(3R)-piperidin-3-yl]acetamide
CID 130763180
N',N'-dimethyl-N-piperidin-3-ylpropanediamide
CID 119424705
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
1-methyl-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 126972708
N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride
CID 119426705
N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride
CID 119428545

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide?
The IUPAC name of (Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide (CID 176678198) is (Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide.
What is the SMILES notation for (Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide?
The canonical SMILES for (Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide is C/C=C(\S)C(=O)N[C@H]1CCCNC1.
What is the InChIKey of (Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide?
The InChIKey is MRSNKFXCNRDNFA-CRCMBFRGSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-2-8(13)9(12)11-7-4-3-5-10-6-7/h2,7,10,13H,3-6H2,1H3,(H,11,12)/b8-2-/t7-/m0/s1.
What are the key properties of (Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide?
(Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide has a molecular weight of 200.31 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide is sourced from PubChem (CID 176678198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).