4-methyl-N-prop-2-enylpiperidine-1-sulfonamide

C9H18N2O2S — CID 60728428

IUPAC4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
SMILESC=CCNS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C9H18N2O2S/c1-3-6-10-14(12,13)11-7-4-9(2)5-8-11/h3,9-10H,1,4-8H2,2H3
InChIKeyHOGQQHCOXQVZMW-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.74
Rot. Bonds4

About 4-methyl-N-prop-2-enylpiperidine-1-sulfonamide

4-methyl-N-prop-2-enylpiperidine-1-sulfonamide (PubChem CID 60728428) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-methyl-N-prop-2-enylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
PubChem CID60728428
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
SMILESC=CCNS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C9H18N2O2S/c1-3-6-10-14(12,13)11-7-4-9(2)5-8-11/h3,9-10H,1,4-8H2,2H3
InChIKeyHOGQQHCOXQVZMW-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide
CID 115638619
4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 69136270
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 115455401
N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide
CID 62966636
N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide
CID 114008773
4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide
CID 46958597
2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 66174633
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
4-methyl-N-(2-piperazin-1-ylethyl)piperidine-1-sulfonamide;dihydrochloride
CID 119966686
lithium N-prop-2-enylsulfamate
CID 156663438
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide
CID 103896620
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-prop-2-enylpiperidine-1-sulfonamide?
The IUPAC name of 4-methyl-N-prop-2-enylpiperidine-1-sulfonamide (CID 60728428) is 4-methyl-N-prop-2-enylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-prop-2-enylpiperidine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-prop-2-enylpiperidine-1-sulfonamide is C=CCNS(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-prop-2-enylpiperidine-1-sulfonamide?
The InChIKey is HOGQQHCOXQVZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-3-6-10-14(12,13)11-7-4-9(2)5-8-11/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 4-methyl-N-prop-2-enylpiperidine-1-sulfonamide?
4-methyl-N-prop-2-enylpiperidine-1-sulfonamide has a molecular weight of 218.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-2-enylpiperidine-1-sulfonamide is sourced from PubChem (CID 60728428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).