azetidin-3-yl(benzenesulfonyl)carbamic acid

C10H12N2O4S — CID 68809801

IUPACazetidin-3-yl(benzenesulfonyl)carbamic acid
SMILESO=C(O)N(C1CNC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O4S/c13-10(14)12(8-6-11-7-8)17(15,16)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,13,14)
InChIKeyNOQXBJPCWDUGDI-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.33
Rot. Bonds3

About azetidin-3-yl(benzenesulfonyl)carbamic acid

azetidin-3-yl(benzenesulfonyl)carbamic acid (PubChem CID 68809801) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is azetidin-3-yl(benzenesulfonyl)carbamic acid.

Molecular Properties

Compound Nameazetidin-3-yl(benzenesulfonyl)carbamic acid
PubChem CID68809801
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Nameazetidin-3-yl(benzenesulfonyl)carbamic acid
SMILESO=C(O)N(C1CNC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O4S/c13-10(14)12(8-6-11-7-8)17(15,16)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,13,14)
InChIKeyNOQXBJPCWDUGDI-UHFFFAOYSA-N
XLogP0.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl(benzenesulfonyl)carbamic acid?
The IUPAC name of azetidin-3-yl(benzenesulfonyl)carbamic acid (CID 68809801) is azetidin-3-yl(benzenesulfonyl)carbamic acid.
What is the SMILES notation for azetidin-3-yl(benzenesulfonyl)carbamic acid?
The canonical SMILES for azetidin-3-yl(benzenesulfonyl)carbamic acid is O=C(O)N(C1CNC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of azetidin-3-yl(benzenesulfonyl)carbamic acid?
The InChIKey is NOQXBJPCWDUGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c13-10(14)12(8-6-11-7-8)17(15,16)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,13,14).
What are the key properties of azetidin-3-yl(benzenesulfonyl)carbamic acid?
azetidin-3-yl(benzenesulfonyl)carbamic acid has a molecular weight of 256.28 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl(benzenesulfonyl)carbamic acid is sourced from PubChem (CID 68809801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).