2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide

C10H20N2O2S2 — CID 115049262

IUPAC2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide
SMILESO=S(=O)(CCC1CNC1)NC1CCSCC1
InChIInChI=1S/C10H20N2O2S2/c13-16(14,6-3-9-7-11-8-9)12-10-1-4-15-5-2-10/h9-12H,1-8H2
InChIKeyQLRXOSSXRDTZJR-UHFFFAOYSA-N
MW264.42 g/mol
LogP0.41
Rot. Bonds5

About 2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide

2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide (PubChem CID 115049262) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide
PubChem CID115049262
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide
SMILESO=S(=O)(CCC1CNC1)NC1CCSCC1
InChIInChI=1S/C10H20N2O2S2/c13-16(14,6-3-9-7-11-8-9)12-10-1-4-15-5-2-10/h9-12H,1-8H2
InChIKeyQLRXOSSXRDTZJR-UHFFFAOYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide
CID 60892687
1-(azetidin-3-yl)-N-cyclohexylmethanesulfonamide
CID 115039138
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide
CID 112746927
2-(azetidin-2-yl)-N-cyclobutylethanesulfonamide
CID 115071298
N-methyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115019215
N-cyclopentyl-1-pyrrolidin-3-ylmethanesulfonamide
CID 115039136
4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide
CID 106086184
2-amino-N-cyclopropylethanesulfonamide
CID 16787497
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
2-piperidin-2-yl-N-pyrrolidin-3-ylethanesulfonamide
CID 115048876
3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide
CID 103063616
N-tert-butyl-2-piperidin-3-ylethanesulfonamide
CID 115046359

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide (CID 115049262) is 2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide is O=S(=O)(CCC1CNC1)NC1CCSCC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide?
The InChIKey is QLRXOSSXRDTZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c13-16(14,6-3-9-7-11-8-9)12-10-1-4-15-5-2-10/h9-12H,1-8H2.
What are the key properties of 2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide?
2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide has a molecular weight of 264.42 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide is sourced from PubChem (CID 115049262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).