2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide

C14H23N3O2S — CID 80645589

IUPAC2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide
SMILESCCCN(CC1CC1)c1ccc(S(=O)(=O)NC)c(N)c1
InChIInChI=1S/C14H23N3O2S/c1-3-8-17(10-11-4-5-11)12-6-7-14(13(15)9-12)20(18,19)16-2/h6-7,9,11,16H,3-5,8,10,15H2,1-2H3
InChIKeyRPTWFOOOMGGYDC-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.80
Rot. Bonds7

About 2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide

2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide (PubChem CID 80645589) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide
PubChem CID80645589
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide
SMILESCCCN(CC1CC1)c1ccc(S(=O)(=O)NC)c(N)c1
InChIInChI=1S/C14H23N3O2S/c1-3-8-17(10-11-4-5-11)12-6-7-14(13(15)9-12)20(18,19)16-2/h6-7,9,11,16H,3-5,8,10,15H2,1-2H3
InChIKeyRPTWFOOOMGGYDC-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide (CID 80645589) is 2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide is CCCN(CC1CC1)c1ccc(S(=O)(=O)NC)c(N)c1.
What is the InChIKey of 2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is RPTWFOOOMGGYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-8-17(10-11-4-5-11)12-6-7-14(13(15)9-12)20(18,19)16-2/h6-7,9,11,16H,3-5,8,10,15H2,1-2H3.
What are the key properties of 2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide?
2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 80645589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).