N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide

C10H18N2O3S — CID 170718582

IUPACN-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide
SMILESCS(=O)(=O)/C=C/CNC(=O)N1CCCCC1
InChIInChI=1S/C10H18N2O3S/c1-16(14,15)9-5-6-11-10(13)12-7-3-2-4-8-12/h5,9H,2-4,6-8H2,1H3,(H,11,13)/b9-5+
InChIKeyJQCMPMJIGGQHPR-WEVVVXLNSA-N
MW246.33 g/mol
LogP0.74
Rot. Bonds3

About N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide

N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide (PubChem CID 170718582) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide
PubChem CID170718582
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide
SMILESCS(=O)(=O)/C=C/CNC(=O)N1CCCCC1
InChIInChI=1S/C10H18N2O3S/c1-16(14,15)9-5-6-11-10(13)12-7-3-2-4-8-12/h5,9H,2-4,6-8H2,1H3,(H,11,13)/b9-5+
InChIKeyJQCMPMJIGGQHPR-WEVVVXLNSA-N
XLogP0.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide
CID 115675126
N-prop-2-enylpyrrolidine-1-carboxamide
CID 102517238
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
N-(3-methylbut-2-enyl)azetidine-1-carboxamide
CID 130669860
N-(2-oxopropyl)azepane-1-carboxamide
CID 79152815
N-(1-methylsulfonylpropan-2-yl)piperidine-1-carboxamide
CID 115626185
N-(2-acetamidoethyl)piperidine-1-carboxamide
CID 115575266
3-(azocane-1-carbonylamino)-2-methylpropanoic acid
CID 62669756
3-(azepane-1-carbonylamino)-2-methylpropanoic acid
CID 62671321
(2S,4R)-4-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-2-phenylpiperidine-1-carboxamide
CID 170718565
2-(azocane-1-carbonylamino)acetic acid
CID 43445649
N-prop-2-ynylpyrrolidine-1-carboxamide
CID 112722494

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide?
The IUPAC name of N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide (CID 170718582) is N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide is CS(=O)(=O)/C=C/CNC(=O)N1CCCCC1.
What is the InChIKey of N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide?
The InChIKey is JQCMPMJIGGQHPR-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-16(14,15)9-5-6-11-10(13)12-7-3-2-4-8-12/h5,9H,2-4,6-8H2,1H3,(H,11,13)/b9-5+.
What are the key properties of N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide?
N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide has a molecular weight of 246.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide is sourced from PubChem (CID 170718582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).