3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide

C9H18ClNO2S — CID 61368525

IUPAC3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide
SMILESCC1(NS(=O)(=O)CCCCl)CCCC1
InChIInChI=1S/C9H18ClNO2S/c1-9(5-2-3-6-9)11-14(12,13)8-4-7-10/h11H,2-8H2,1H3
InChIKeyMVKGTWSGQACXII-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.87
Rot. Bonds5

About 3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide

3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide (PubChem CID 61368525) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide
PubChem CID61368525
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide
SMILESCC1(NS(=O)(=O)CCCCl)CCCC1
InChIInChI=1S/C9H18ClNO2S/c1-9(5-2-3-6-9)11-14(12,13)8-4-7-10/h11H,2-8H2,1H3
InChIKeyMVKGTWSGQACXII-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.87
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

N-(1-methylcyclohexyl)propane-1-sulfonamide
CID 61384311
methyl 1-(3-chloropropylsulfonylamino)cyclohexane-1-carboxylate
CID 107858831
1-cyano-N-(1-methylcyclopentyl)methanesulfonamide
CID 64687445
2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide
CID 107652467
3-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propane-1-sulfonamide
CID 103968261
4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid
CID 114696709
3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide
CID 114114574
(1-methylcyclohexyl)sulfamic acid
CID 102317310
4-chloro-N-[(2-methyloxolan-2-yl)methyl]butane-1-sulfonamide
CID 116816339
3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide
CID 83023813
N-(1-methylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64688259
N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide
CID 115903061

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide (CID 61368525) is 3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide is CC1(NS(=O)(=O)CCCCl)CCCC1.
What is the InChIKey of 3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide?
The InChIKey is MVKGTWSGQACXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-9(5-2-3-6-9)11-14(12,13)8-4-7-10/h11H,2-8H2,1H3.
What are the key properties of 3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide?
3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide is sourced from PubChem (CID 61368525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).