N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide

C15H22N2O2S2 — CID 80609221

IUPACN-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1NCC1CCCCS1
InChIInChI=1S/C15H22N2O2S2/c18-21(19,17-12-8-9-12)15-7-2-1-6-14(15)16-11-13-5-3-4-10-20-13/h1-2,6-7,12-13,16-17H,3-5,8-11H2
InChIKeyUVCIQRVBWGRGSX-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.82
Rot. Bonds6

About N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide

N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide (PubChem CID 80609221) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide
PubChem CID80609221
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC NameN-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1NCC1CCCCS1
InChIInChI=1S/C15H22N2O2S2/c18-21(19,17-12-8-9-12)15-7-2-1-6-14(15)16-11-13-5-3-4-10-20-13/h1-2,6-7,12-13,16-17H,3-5,8-11H2
InChIKeyUVCIQRVBWGRGSX-UHFFFAOYSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide (CID 80609221) is N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide is O=S(=O)(NC1CC1)c1ccccc1NCC1CCCCS1.
What is the InChIKey of N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide?
The InChIKey is UVCIQRVBWGRGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c18-21(19,17-12-8-9-12)15-7-2-1-6-14(15)16-11-13-5-3-4-10-20-13/h1-2,6-7,12-13,16-17H,3-5,8-11H2.
What are the key properties of N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide?
N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide has a molecular weight of 326.49 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(thian-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 80609221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).