3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide

C9H18ClNO2S — CID 43653873

IUPAC3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)CCCCl
InChIInChI=1S/C9H18ClNO2S/c1-8(9-4-5-9)11(2)14(12,13)7-3-6-10/h8-9H,3-7H2,1-2H3
InChIKeyLZWCTGGZPZNGKG-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.68
Rot. Bonds6

About 3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide

3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide (PubChem CID 43653873) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide
PubChem CID43653873
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)CCCCl
InChIInChI=1S/C9H18ClNO2S/c1-8(9-4-5-9)11(2)14(12,13)7-3-6-10/h8-9H,3-7H2,1-2H3
InChIKeyLZWCTGGZPZNGKG-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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-butan-2-yl-3-chloro-N-methylpropane-1-sulfonamide
CID 43654521
N-(1-cyclopropylethyl)-N-methylsulfamoyl chloride
CID 43569022
3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide
CID 43653837
3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide
CID 43653909
3-chloro-N-(cyclopropylmethyl)-N-ethylpropane-1-sulfonamide
CID 63938909
3-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)propane-1-sulfonamide
CID 54877166
3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propane-1-sulfonamide
CID 54877273
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60890473
N-[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 95635483
N-[1-cyclopropylethyl(methyl)sulfamoyl]-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 56806853
1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60857965
5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide
CID 43421809

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide (CID 43653873) is 3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide is CC(C1CC1)N(C)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide?
The InChIKey is LZWCTGGZPZNGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-8(9-4-5-9)11(2)14(12,13)7-3-6-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide?
3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclopropylethyl)-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 43653873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).