1-chloro-N-(2-methylcyclopropyl)methanesulfonamide

C5H10ClNO2S — CID 63663964

IUPAC1-chloro-N-(2-methylcyclopropyl)methanesulfonamide
SMILESCC1CC1NS(=O)(=O)CCl
InChIInChI=1S/C5H10ClNO2S/c1-4-2-5(4)7-10(8,9)3-6/h4-5,7H,2-3H2,1H3
InChIKeyIHIQIQRGETZRAO-UHFFFAOYSA-N
MW183.66 g/mol
LogP0.51
Rot. Bonds3

About 1-chloro-N-(2-methylcyclopropyl)methanesulfonamide

1-chloro-N-(2-methylcyclopropyl)methanesulfonamide (PubChem CID 63663964) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is 1-chloro-N-(2-methylcyclopropyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-methylcyclopropyl)methanesulfonamide
PubChem CID63663964
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Name1-chloro-N-(2-methylcyclopropyl)methanesulfonamide
SMILESCC1CC1NS(=O)(=O)CCl
InChIInChI=1S/C5H10ClNO2S/c1-4-2-5(4)7-10(8,9)3-6/h4-5,7H,2-3H2,1H3
InChIKeyIHIQIQRGETZRAO-UHFFFAOYSA-N
XLogP0.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 50.51
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

1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide
CID 130710681
1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 127011592
1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide
CID 63665826
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide
CID 63666165
1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide
CID 130961479
2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide
CID 107652077
1-chloro-N-cycloheptylmethanesulfonamide
CID 63666370
1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
CID 63666238
1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide
CID 65472618
2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide
CID 107652071
N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide
CID 127004373

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-methylcyclopropyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-methylcyclopropyl)methanesulfonamide (CID 63663964) is 1-chloro-N-(2-methylcyclopropyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-methylcyclopropyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-methylcyclopropyl)methanesulfonamide is CC1CC1NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(2-methylcyclopropyl)methanesulfonamide?
The InChIKey is IHIQIQRGETZRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO2S/c1-4-2-5(4)7-10(8,9)3-6/h4-5,7H,2-3H2,1H3.
What are the key properties of 1-chloro-N-(2-methylcyclopropyl)methanesulfonamide?
1-chloro-N-(2-methylcyclopropyl)methanesulfonamide has a molecular weight of 183.66 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-methylcyclopropyl)methanesulfonamide is sourced from PubChem (CID 63663964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).