2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide

C14H23N3O2S — CID 103354049

IUPAC2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCC1(N)CCC1
InChIInChI=1S/C14H23N3O2S/c1-11(2)17-20(18,19)13-7-4-3-6-12(13)16-10-14(15)8-5-9-14/h3-4,6-7,11,16-17H,5,8-10,15H2,1-2H3
InChIKeyJYGOWCVJQODUQG-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.67
Rot. Bonds6

About 2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide

2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 103354049) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide
PubChem CID103354049
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCC1(N)CCC1
InChIInChI=1S/C14H23N3O2S/c1-11(2)17-20(18,19)13-7-4-3-6-12(13)16-10-14(15)8-5-9-14/h3-4,6-7,11,16-17H,5,8-10,15H2,1-2H3
InChIKeyJYGOWCVJQODUQG-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077
2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 61482608
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
N-cyclopropyl-2-[2-(propan-2-ylsulfamoyl)anilino]acetamide
CID 43568444

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide (CID 103354049) is 2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1NCC1(N)CCC1.
What is the InChIKey of 2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is JYGOWCVJQODUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(2)17-20(18,19)13-7-4-3-6-12(13)16-10-14(15)8-5-9-14/h3-4,6-7,11,16-17H,5,8-10,15H2,1-2H3.
What are the key properties of 2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide?
2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 103354049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).