2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide

C14H19N3O2S — CID 43599036

IUPAC2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1NC1C2CNCC21
InChIInChI=1S/C14H19N3O2S/c18-20(19,17-9-5-6-9)13-4-2-1-3-12(13)16-14-10-7-15-8-11(10)14/h1-4,9-11,14-17H,5-8H2
InChIKeyUOOMLVPHPOATEC-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.76
Rot. Bonds5

About 2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide

2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide (PubChem CID 43599036) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide
PubChem CID43599036
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1NC1C2CNCC21
InChIInChI=1S/C14H19N3O2S/c18-20(19,17-9-5-6-9)13-4-2-1-3-12(13)16-14-10-7-15-8-11(10)14/h1-4,9-11,14-17H,5-8H2
InChIKeyUOOMLVPHPOATEC-UHFFFAOYSA-N
XLogP0.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
CID 43454674
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclopropyl-2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 115520486
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide
CID 83025778
N-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 62893012

Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide (CID 43599036) is 2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide is O=S(=O)(NC1CC1)c1ccccc1NC1C2CNCC21.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide?
The InChIKey is UOOMLVPHPOATEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-20(19,17-9-5-6-9)13-4-2-1-3-12(13)16-14-10-7-15-8-11(10)14/h1-4,9-11,14-17H,5-8H2.
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide?
2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 43599036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).