N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide

C12H25ClN2O2S — CID 65030729

IUPACN-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide
SMILESCC(C)CC(CCl)NS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H25ClN2O2S/c1-10(2)8-12(9-13)14-18(16,17)15-7-5-4-6-11(15)3/h10-12,14H,4-9H2,1-3H3
InChIKeyBGJCOWQYDWDORH-UHFFFAOYSA-N
MW296.86 g/mol
LogP2.35
Rot. Bonds6

About N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide

N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide (PubChem CID 65030729) has the molecular formula C12H25ClN2O2S and a molecular weight of 296.86 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide
PubChem CID65030729
Molecular FormulaC12H25ClN2O2S
Molecular Weight296.86 g/mol
Exact Mass296.13
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide
SMILESCC(C)CC(CCl)NS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H25ClN2O2S/c1-10(2)8-12(9-13)14-18(16,17)15-7-5-4-6-11(15)3/h10-12,14H,4-9H2,1-3H3
InChIKeyBGJCOWQYDWDORH-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.86
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide (CID 65030729) is N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide is CC(C)CC(CCl)NS(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is BGJCOWQYDWDORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2O2S/c1-10(2)8-12(9-13)14-18(16,17)15-7-5-4-6-11(15)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide?
N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 296.86 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 65030729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).