1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide

C15H23N3O4S2 — CID 120726415

IUPAC1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H23N3O4S2/c1-11-15(6-3-9-16-11)18-24(21,22)14-5-2-4-13(10-14)23(19,20)17-12-7-8-12/h2,4-5,10-12,15-18H,3,6-9H2,1H3
InChIKeyAKAMQKGTFRUIMC-UHFFFAOYSA-N
MW373.50 g/mol
LogP0.55
Rot. Bonds6

About 1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide

1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide (PubChem CID 120726415) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
PubChem CID120726415
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC Name1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H23N3O4S2/c1-11-15(6-3-9-16-11)18-24(21,22)14-5-2-4-13(10-14)23(19,20)17-12-7-8-12/h2,4-5,10-12,15-18H,3,6-9H2,1H3
InChIKeyAKAMQKGTFRUIMC-UHFFFAOYSA-N
XLogP0.55
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576695
2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695279
2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 120726485
4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120726654
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
4-(cyclopropylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576685

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide?
The IUPAC name of 1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide (CID 120726415) is 1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide.
What is the SMILES notation for 1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide?
The canonical SMILES for 1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide is CC1NCCCC1NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide?
The InChIKey is AKAMQKGTFRUIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c1-11-15(6-3-9-16-11)18-24(21,22)14-5-2-4-13(10-14)23(19,20)17-12-7-8-12/h2,4-5,10-12,15-18H,3,6-9H2,1H3.
What are the key properties of 1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide?
1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide has a molecular weight of 373.50 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide is sourced from PubChem (CID 120726415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).