(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide

C10H18N2O3S — CID 7030681

IUPAC(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H18N2O3S/c1-3-6-11-10(13)9-5-4-7-12(8-9)16(2,14)15/h3,9H,1,4-8H2,2H3,(H,11,13)/t9-/m1/s1
InChIKeyJUNPCYAYTGWJNU-SECBINFHSA-N
MW246.33 g/mol
LogP-0.04
Rot. Bonds4

About (3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide

(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 7030681) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is (3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID7030681
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H18N2O3S/c1-3-6-11-10(13)9-5-4-7-12(8-9)16(2,14)15/h3,9H,1,4-8H2,2H3,(H,11,13)/t9-/m1/s1
InChIKeyJUNPCYAYTGWJNU-SECBINFHSA-N
XLogP-0.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide
CID 90513052
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 110335758
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 83031962
(3R)-1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 9207700
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 115362212
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55171583
N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 104858019
2-methyl-3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 55105113
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 62032860

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide (CID 7030681) is (3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is JUNPCYAYTGWJNU-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-6-11-10(13)9-5-4-7-12(8-9)16(2,14)15/h3,9H,1,4-8H2,2H3,(H,11,13)/t9-/m1/s1.
What are the key properties of (3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide?
(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 246.33 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 7030681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).