5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide

C15H23N3O2S — CID 79901551

IUPAC5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide
SMILESCc1c(N(CC2CC2)CC2CC2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C15H23N3O2S/c1-10-14(6-13(16)7-15(10)21(17,19)20)18(8-11-2-3-11)9-12-4-5-12/h6-7,11-12H,2-5,8-9,16H2,1H3,(H2,17,19,20)
InChIKeyWLJGDYQRFRBBRZ-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.85
Rot. Bonds6

About 5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide

5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide (PubChem CID 79901551) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide
PubChem CID79901551
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide
SMILESCc1c(N(CC2CC2)CC2CC2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C15H23N3O2S/c1-10-14(6-13(16)7-15(10)21(17,19)20)18(8-11-2-3-11)9-12-4-5-12/h6-7,11-12H,2-5,8-9,16H2,1H3,(H2,17,19,20)
InChIKeyWLJGDYQRFRBBRZ-UHFFFAOYSA-N
XLogP1.85
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.85
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

5-amino-3-[bis(2-methoxyethyl)amino]-2-methylbenzenesulfonamide
CID 79899801
5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide
CID 79896553
5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide
CID 79900402
5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide
CID 79896226
5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide
CID 79905154
5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
CID 79900084
5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide
CID 79896823
5-amino-3-[2-cyanoethyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79897338
5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79895968
5-amino-3-hydroxy-2-methylbenzenesulfonamide
CID 79904666
5-amino-3-chloro-2-methylbenzenesulfonamide
CID 68873212
5-amino-3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylbenzenesulfonamide
CID 79900394

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide (CID 79901551) is 5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide is Cc1c(N(CC2CC2)CC2CC2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide?
The InChIKey is WLJGDYQRFRBBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-14(6-13(16)7-15(10)21(17,19)20)18(8-11-2-3-11)9-12-4-5-12/h6-7,11-12H,2-5,8-9,16H2,1H3,(H2,17,19,20).
What are the key properties of 5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide?
5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 79901551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).