3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide

C10H21ClN2O2S — CID 63208860

IUPAC3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)CCCCl
InChIInChI=1S/C10H21ClN2O2S/c1-12(16(14,15)10-4-5-11)8-9-13-6-2-3-7-13/h2-10H2,1H3
InChIKeyGKFGQXAXCXUHLL-UHFFFAOYSA-N
MW268.81 g/mol
LogP0.97
Rot. Bonds7

About 3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide

3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide (PubChem CID 63208860) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
PubChem CID63208860
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC Name3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)CCCCl
InChIInChI=1S/C10H21ClN2O2S/c1-12(16(14,15)10-4-5-11)8-9-13-6-2-3-7-13/h2-10H2,1H3
InChIKeyGKFGQXAXCXUHLL-UHFFFAOYSA-N
XLogP0.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
CID 63207731
tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate
CID 136573574
N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide
CID 110753480
3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide
CID 63287773
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60890473
5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide
CID 63207525
4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)butane-1-sulfonamide
CID 116815908
N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide
CID 63396691
4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63211293
1-(4-chlorobutyl)azepane
CID 22568254
2-(chloromethyl)-N,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-3-sulfonamide
CID 102750658
4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide
CID 116816051

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide (CID 63208860) is 3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide is CN(CCN1CCCC1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide?
The InChIKey is GKFGQXAXCXUHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O2S/c1-12(16(14,15)10-4-5-11)8-9-13-6-2-3-7-13/h2-10H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide?
3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide has a molecular weight of 268.81 g/mol, XLogP of 0.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 63208860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).