3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide

C12H18N2O2S2 — CID 43296364

IUPAC3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)C1CCSC1
InChIInChI=1S/C12H18N2O2S2/c1-9-11(13)4-3-5-12(9)18(15,16)14(2)10-6-7-17-8-10/h3-5,10H,6-8,13H2,1-2H3
InChIKeyQKZMNUOFDGYSQJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.70
Rot. Bonds3

About 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide

3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 43296364) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID43296364
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)C1CCSC1
InChIInChI=1S/C12H18N2O2S2/c1-9-11(13)4-3-5-12(9)18(15,16)14(2)10-6-7-17-8-10/h3-5,10H,6-8,13H2,1-2H3
InChIKeyQKZMNUOFDGYSQJ-UHFFFAOYSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.70
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 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide (CID 43296364) is 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)N(C)C1CCSC1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is QKZMNUOFDGYSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-9-11(13)4-3-5-12(9)18(15,16)14(2)10-6-7-17-8-10/h3-5,10H,6-8,13H2,1-2H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide?
3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 286.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 43296364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).