4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide

C10H16N2O2S2 — CID 82901190

IUPAC4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(SC(C)C)c1
InChIInChI=1S/C10H16N2O2S2/c1-7(2)15-10-6-8(4-5-9(10)11)16(13,14)12-3/h4-7,12H,11H2,1-3H3
InChIKeyKGNRNOGNEKXLSM-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.68
Rot. Bonds4

About 4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide

4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide (PubChem CID 82901190) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide
PubChem CID82901190
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(SC(C)C)c1
InChIInChI=1S/C10H16N2O2S2/c1-7(2)15-10-6-8(4-5-9(10)11)16(13,14)12-3/h4-7,12H,11H2,1-3H3
InChIKeyKGNRNOGNEKXLSM-UHFFFAOYSA-N
XLogP1.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.68
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 4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide (CID 82901190) is 4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(SC(C)C)c1.
What is the InChIKey of 4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide?
The InChIKey is KGNRNOGNEKXLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-7(2)15-10-6-8(4-5-9(10)11)16(13,14)12-3/h4-7,12H,11H2,1-3H3.
What are the key properties of 4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide?
4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide has a molecular weight of 260.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide is sourced from PubChem (CID 82901190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).