N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide

C13H25ClN2O2S — CID 63396683

IUPACN-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(CCCl)C2CCCC2)CC1
InChIInChI=1S/C13H25ClN2O2S/c1-12-6-9-15(10-7-12)19(17,18)16(11-8-14)13-4-2-3-5-13/h12-13H,2-11H2,1H3
InChIKeyMGBNYYXFXGIVSG-UHFFFAOYSA-N
MW308.88 g/mol
LogP2.45
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide

N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide (PubChem CID 63396683) has the molecular formula C13H25ClN2O2S and a molecular weight of 308.88 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide
PubChem CID63396683
Molecular FormulaC13H25ClN2O2S
Molecular Weight308.88 g/mol
Exact Mass308.13
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(CCCl)C2CCCC2)CC1
InChIInChI=1S/C13H25ClN2O2S/c1-12-6-9-15(10-7-12)19(17,18)16(11-8-14)13-4-2-3-5-13/h12-13H,2-11H2,1H3
InChIKeyMGBNYYXFXGIVSG-UHFFFAOYSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide
CID 63396430
N-(2-chloroethyl)-N-cyclohexylazepane-1-sulfonamide
CID 63396474
N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 80669420
N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide
CID 102873428
N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide
CID 63397143
2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 77044621
4-methyl-N-piperidin-4-yl-N-propylpiperidine-1-sulfonamide;hydrochloride
CID 119994154
N-(2-aminoethyl)-N-cyclopentylpyrrolidine-1-sulfonamide
CID 63766567
N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 102675737
N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide
CID 63396860
N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide
CID 102873540
1-(2-chloroethylsulfonyl)-4-methylpiperidine
CID 60722884

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide (CID 63396683) is N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(CCCl)C2CCCC2)CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide?
The InChIKey is MGBNYYXFXGIVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O2S/c1-12-6-9-15(10-7-12)19(17,18)16(11-8-14)13-4-2-3-5-13/h12-13H,2-11H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide?
N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide has a molecular weight of 308.88 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 63396683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).