2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide

C15H24N2O2S — CID 103171231

IUPAC2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1c(C)ccc(C)c1N
InChIInChI=1S/C15H24N2O2S/c1-4-5-10-17(13-8-9-13)20(18,19)15-12(3)7-6-11(2)14(15)16/h6-7,13H,4-5,8-10,16H2,1-3H3
InChIKeyMZOZKTVOTCPFRJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.84
Rot. Bonds6

About 2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide

2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide (PubChem CID 103171231) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide
PubChem CID103171231
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1c(C)ccc(C)c1N
InChIInChI=1S/C15H24N2O2S/c1-4-5-10-17(13-8-9-13)20(18,19)15-12(3)7-6-11(2)14(15)16/h6-7,13H,4-5,8-10,16H2,1-3H3
InChIKeyMZOZKTVOTCPFRJ-UHFFFAOYSA-N
XLogP2.84
TPSA63.40 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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-butyl-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61112985
3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 107343278
6-amino-N-butyl-N-cyclopropylpyridine-3-sulfonamide
CID 62157833
4-amino-2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 55139512
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 60751139
3-amino-N-butyl-5-chloro-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61113158
N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide
CID 106833026
N-butyl-N-cyclopropyl-6-(propylamino)pyridine-3-sulfonamide
CID 62156743
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluoro-5-methylbenzenesulfonamide
CID 81427943
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 61059668

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide (CID 103171231) is 2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide is CCCCN(C1CC1)S(=O)(=O)c1c(C)ccc(C)c1N.
What is the InChIKey of 2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide?
The InChIKey is MZOZKTVOTCPFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-5-10-17(13-8-9-13)20(18,19)15-12(3)7-6-11(2)14(15)16/h6-7,13H,4-5,8-10,16H2,1-3H3.
What are the key properties of 2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide?
2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103171231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).