N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide

C11H22Cl2N2O2S — CID 107868435

IUPACN-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide
SMILESCCC(CCl)(CCl)NS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C11H22Cl2N2O2S/c1-3-11(8-12,9-13)14-18(16,17)15-6-4-10(2)5-7-15/h10,14H,3-9H2,1-2H3
InChIKeyIIVLKLULYPGASG-UHFFFAOYSA-N
MW317.28 g/mol
LogP2.18
Rot. Bonds6

About N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide

N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide (PubChem CID 107868435) has the molecular formula C11H22Cl2N2O2S and a molecular weight of 317.28 g/mol. Its IUPAC name is N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide
PubChem CID107868435
Molecular FormulaC11H22Cl2N2O2S
Molecular Weight317.28 g/mol
Exact Mass316.08
IUPAC NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide
SMILESCCC(CCl)(CCl)NS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C11H22Cl2N2O2S/c1-3-11(8-12,9-13)14-18(16,17)15-6-4-10(2)5-7-15/h10,14H,3-9H2,1-2H3
InChIKeyIIVLKLULYPGASG-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 105060270
N-(1-chlorobutan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 65033436
2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 65266306
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637
1-(2-chloroethylsulfonyl)-4-methylpiperidine
CID 60722884
N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide
CID 115638619
N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide
CID 63397143
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
CID 60728428
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide
CID 103896620
N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 114293836
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299

Frequently Asked Questions

What is the IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide (CID 107868435) is N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide is CCC(CCl)(CCl)NS(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is IIVLKLULYPGASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Cl2N2O2S/c1-3-11(8-12,9-13)14-18(16,17)15-6-4-10(2)5-7-15/h10,14H,3-9H2,1-2H3.
What are the key properties of N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide?
N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 317.28 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 107868435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).