2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C15H18N2O2S2 — CID 61433464

IUPAC2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)c(N)c1
InChIInChI=1S/C15H18N2O2S2/c1-11-2-5-15(14(16)8-11)21(18,19)17(13-3-4-13)9-12-6-7-20-10-12/h2,5-8,10,13H,3-4,9,16H2,1H3
InChIKeyWNUBTAOPEPWQOR-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.99
Rot. Bonds5

About 2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 61433464) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID61433464
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)c(N)c1
InChIInChI=1S/C15H18N2O2S2/c1-11-2-5-15(14(16)8-11)21(18,19)17(13-3-4-13)9-12-6-7-20-10-12/h2,5-8,10,13H,3-4,9,16H2,1H3
InChIKeyWNUBTAOPEPWQOR-UHFFFAOYSA-N
XLogP2.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
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-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 61433464) is 2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)c(N)c1.
What is the InChIKey of 2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is WNUBTAOPEPWQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-11-2-5-15(14(16)8-11)21(18,19)17(13-3-4-13)9-12-6-7-20-10-12/h2,5-8,10,13H,3-4,9,16H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 322.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61433464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).