N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide

C9H17ClN2O2S — CID 115638619

IUPACN-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide
SMILESC=C(Cl)CNS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C9H17ClN2O2S/c1-8-3-5-12(6-4-8)15(13,14)11-7-9(2)10/h8,11H,2-7H2,1H3
InChIKeyYQDZKKZAAWOKIA-UHFFFAOYSA-N
MW252.77 g/mol
LogP1.31
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide

N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 115638619) has the molecular formula C9H17ClN2O2S and a molecular weight of 252.77 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide
PubChem CID115638619
Molecular FormulaC9H17ClN2O2S
Molecular Weight252.77 g/mol
Exact Mass252.07
IUPAC NameN-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide
SMILESC=C(Cl)CNS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C9H17ClN2O2S/c1-8-3-5-12(6-4-8)15(13,14)11-7-9(2)10/h8,11H,2-7H2,1H3
InChIKeyYQDZKKZAAWOKIA-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
CID 60728428
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 115455401
2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 66174633
N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide
CID 62966636
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide
CID 114008773
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide
CID 103896620
4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide
CID 46958597
2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 104682900
3-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066819
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 65121840
3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 103153472

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide (CID 115638619) is N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide is C=C(Cl)CNS(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is YQDZKKZAAWOKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O2S/c1-8-3-5-12(6-4-8)15(13,14)11-7-9(2)10/h8,11H,2-7H2,1H3.
What are the key properties of N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide?
N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 252.77 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 115638619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).