3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide

C13H21N3O2S — CID 43449230

IUPAC3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide
SMILESCCCN(c1ccc(S(=O)(=O)NC)cc1N)C1CC1
InChIInChI=1S/C13H21N3O2S/c1-3-8-16(10-4-5-10)13-7-6-11(9-12(13)14)19(17,18)15-2/h6-7,9-10,15H,3-5,8,14H2,1-2H3
InChIKeyPKFAUAUGOVIEPQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.56
Rot. Bonds6

About 3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide

3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide (PubChem CID 43449230) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide
PubChem CID43449230
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide
SMILESCCCN(c1ccc(S(=O)(=O)NC)cc1N)C1CC1
InChIInChI=1S/C13H21N3O2S/c1-3-8-16(10-4-5-10)13-7-6-11(9-12(13)14)19(17,18)15-2/h6-7,9-10,15H,3-5,8,14H2,1-2H3
InChIKeyPKFAUAUGOVIEPQ-UHFFFAOYSA-N
XLogP1.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
N-Methyl-4-(methylamino)-3-nitrobenzenesulfonamide
CID 4558331
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
Oryzalin metabolite OR-7
CID 121474266
4-Amino-N-(2-(dimethylamino)ethyl)benzenesulfonamide
CID 203438
3-Amino-n-methyl-4-(methylamino)benzenesulfonamide
CID 274142
N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide
CID 4780147
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-3-nitrobenzenesulfonamide
CID 4841397
3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide
CID 43449113
3-(benzylamino)-4-(cyclopentylamino)-N-ethylbenzenesulfonamide
CID 121334891
3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide
CID 121334908
3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 121334944

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide (CID 43449230) is 3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide is CCCN(c1ccc(S(=O)(=O)NC)cc1N)C1CC1.
What is the InChIKey of 3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is PKFAUAUGOVIEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-8-16(10-4-5-10)13-7-6-11(9-12(13)14)19(17,18)15-2/h6-7,9-10,15H,3-5,8,14H2,1-2H3.
What are the key properties of 3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide?
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43449230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).