3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C15H24N2O2S — CID 106608499

IUPAC3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C15H24N2O2S/c1-3-10-17(12-14-7-5-9-16-14)20(18,19)15-8-4-6-13(2)11-15/h4,6,8,11,14,16H,3,5,7,9-10,12H2,1-2H3
InChIKeyMILZWSFQOAUVRX-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.15
Rot. Bonds6

About 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106608499) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106608499
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C15H24N2O2S/c1-3-10-17(12-14-7-5-9-16-14)20(18,19)15-8-4-6-13(2)11-15/h4,6,8,11,14,16H,3,5,7,9-10,12H2,1-2H3
InChIKeyMILZWSFQOAUVRX-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
CID 106630601
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609304
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608617
N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608687
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
2-chloro-4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608467
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610343

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106608499) is 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is CCCN(CC1CCCN1)S(=O)(=O)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is MILZWSFQOAUVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-10-17(12-14-7-5-9-16-14)20(18,19)15-8-4-6-13(2)11-15/h4,6,8,11,14,16H,3,5,7,9-10,12H2,1-2H3.
What are the key properties of 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106608499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).