1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide

C9H18ClNO2S — CID 63665355

IUPAC1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)CCl
InChIInChI=1S/C9H18ClNO2S/c1-8(2)5-6-11(9-3-4-9)14(12,13)7-10/h8-9H,3-7H2,1-2H3
InChIKeyRWRVWOWPXFGBSL-UHFFFAOYSA-N
MW239.77 g/mol
LogP2.02
Rot. Bonds6

About 1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide

1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide (PubChem CID 63665355) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
PubChem CID63665355
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)CCl
InChIInChI=1S/C9H18ClNO2S/c1-8(2)5-6-11(9-3-4-9)14(12,13)7-10/h8-9H,3-7H2,1-2H3
InChIKeyRWRVWOWPXFGBSL-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 52.02
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

2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
CID 79014657
3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
CID 60951410
N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide
CID 80667163
1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide
CID 79013643
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
CID 63857314
3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
CID 79585918
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanethioamide
CID 63857330
N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 78974166
1-[3-(aminomethyl)phenyl]-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 78973614
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide
CID 80668009
N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide
CID 63397229
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113120

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide (CID 63665355) is 1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide is CC(C)CCN(C1CC1)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide?
The InChIKey is RWRVWOWPXFGBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-8(2)5-6-11(9-3-4-9)14(12,13)7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide?
1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide has a molecular weight of 239.77 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide is sourced from PubChem (CID 63665355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).