N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide

C8H16ClNO2S — CID 65036846

IUPACN-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide
SMILESCC(CCl)CNS(=O)(=O)CC1CC1
InChIInChI=1S/C8H16ClNO2S/c1-7(4-9)5-10-13(11,12)6-8-2-3-8/h7-8,10H,2-6H2,1H3
InChIKeyBKUWOJHFRCFFLC-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.19
Rot. Bonds6

About N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide

N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide (PubChem CID 65036846) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide
PubChem CID65036846
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC NameN-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide
SMILESCC(CCl)CNS(=O)(=O)CC1CC1
InChIInChI=1S/C8H16ClNO2S/c1-7(4-9)5-10-13(11,12)6-8-2-3-8/h7-8,10H,2-6H2,1H3
InChIKeyBKUWOJHFRCFFLC-UHFFFAOYSA-N
XLogP1.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.19
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-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide (CID 65036846) is N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide is CC(CCl)CNS(=O)(=O)CC1CC1.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide?
The InChIKey is BKUWOJHFRCFFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-7(4-9)5-10-13(11,12)6-8-2-3-8/h7-8,10H,2-6H2,1H3.
What are the key properties of N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide?
N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide has a molecular weight of 225.74 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 65036846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).