4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide

C11H17N3O2S — CID 63760437

IUPAC4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide
SMILESNC(CNc1ccc(S(N)(=O)=O)cc1)C1CC1
InChIInChI=1S/C11H17N3O2S/c12-11(8-1-2-8)7-14-9-3-5-10(6-4-9)17(13,15)16/h3-6,8,11,14H,1-2,7,12H2,(H2,13,15,16)
InChIKeySJECYKQQUOJIHH-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.48
Rot. Bonds5

About 4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide

4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide (PubChem CID 63760437) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide
PubChem CID63760437
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide
SMILESNC(CNc1ccc(S(N)(=O)=O)cc1)C1CC1
InChIInChI=1S/C11H17N3O2S/c12-11(8-1-2-8)7-14-9-3-5-10(6-4-9)17(13,15)16/h3-6,8,11,14H,1-2,7,12H2,(H2,13,15,16)
InChIKeySJECYKQQUOJIHH-UHFFFAOYSA-N
XLogP0.48
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
4-(2-piperidin-1-ylpropylamino)benzenesulfonamide
CID 61017318
4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
CID 43599575
4-[(2-amino-2-cyclopropylethyl)amino]-2-bromobenzonitrile
CID 107280864
4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide
CID 61012057
4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide
CID 61313949
[1-amino-2-(sulfamoylamino)ethyl]cyclopropane
CID 114959424
1-cyclopropyl-N'-[4-nitro-3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 115301528
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
N-(2-cyclopropylpropyl)-4-(difluoromethylsulfonyl)aniline
CID 115591435
N-(2-cyclopropylpropyl)-4-(trifluoromethylsulfonyl)aniline
CID 115591442
4-(3-aminopentylamino)benzenesulfonamide
CID 113498131

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide (CID 63760437) is 4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide is NC(CNc1ccc(S(N)(=O)=O)cc1)C1CC1.
What is the InChIKey of 4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide?
The InChIKey is SJECYKQQUOJIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-11(8-1-2-8)7-14-9-3-5-10(6-4-9)17(13,15)16/h3-6,8,11,14H,1-2,7,12H2,(H2,13,15,16).
What are the key properties of 4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide?
4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide is sourced from PubChem (CID 63760437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).