N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide

C14H21N3O2S — CID 62663053

IUPACN-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1NCCNC1CC1
InChIInChI=1S/C14H21N3O2S/c18-20(19,17-12-7-8-12)14-4-2-1-3-13(14)16-10-9-15-11-5-6-11/h1-4,11-12,15-17H,5-10H2
InChIKeyWKOGVPXDMMBGRA-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.29
Rot. Bonds8

About N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide

N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide (PubChem CID 62663053) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
PubChem CID62663053
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1NCCNC1CC1
InChIInChI=1S/C14H21N3O2S/c18-20(19,17-12-7-8-12)14-4-2-1-3-13(14)16-10-9-15-11-5-6-11/h1-4,11-12,15-17H,5-10H2
InChIKeyWKOGVPXDMMBGRA-UHFFFAOYSA-N
XLogP1.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
N-cyclopropyl-2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 115520486
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate
CID 83204510
N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide
CID 62143440
2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
CID 106127786
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide
CID 106244439

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide (CID 62663053) is N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide is O=S(=O)(NC1CC1)c1ccccc1NCCNC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide?
The InChIKey is WKOGVPXDMMBGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-20(19,17-12-7-8-12)14-4-2-1-3-13(14)16-10-9-15-11-5-6-11/h1-4,11-12,15-17H,5-10H2.
What are the key properties of N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide?
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide has a molecular weight of 295.41 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide is sourced from PubChem (CID 62663053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).