N-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide

C10H20ClNO2S — CID 65031296

IUPACN-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide
SMILESCC(C)CC(CCl)NS(=O)(=O)CC1CC1
InChIInChI=1S/C10H20ClNO2S/c1-8(2)5-10(6-11)12-15(13,14)7-9-3-4-9/h8-10,12H,3-7H2,1-2H3
InChIKeyULJBLSSIADWEFK-UHFFFAOYSA-N
MW253.79 g/mol
LogP1.97
Rot. Bonds7

About N-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide

N-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide (PubChem CID 65031296) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide
PubChem CID65031296
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide
SMILESCC(C)CC(CCl)NS(=O)(=O)CC1CC1
InChIInChI=1S/C10H20ClNO2S/c1-8(2)5-10(6-11)12-15(13,14)7-9-3-4-9/h8-10,12H,3-7H2,1-2H3
InChIKeyULJBLSSIADWEFK-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 51.97
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)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide (CID 65031296) is N-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide is CC(C)CC(CCl)NS(=O)(=O)CC1CC1.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide?
The InChIKey is ULJBLSSIADWEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-8(2)5-10(6-11)12-15(13,14)7-9-3-4-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide?
N-(1-chloro-4-methylpentan-2-yl)-1-cyclopropylmethanesulfonamide has a molecular weight of 253.79 g/mol, XLogP of 1.97, 7 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)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 65031296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).