(3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate

C13H16N2O5S2 — CID 23117148

IUPAC(3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)N=C2C1CCCCC1
InChIInChI=1S/C13H16N2O5S2/c14-22(18,19)20-10-6-7-11-12(8-10)21(16,17)15-13(11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,14,18,19)
InChIKeyQWAXPJMPYBMEBT-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.34
Rot. Bonds3

About (3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate

(3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate (PubChem CID 23117148) has the molecular formula C13H16N2O5S2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate.

Molecular Properties

Compound Name(3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate
PubChem CID23117148
Molecular FormulaC13H16N2O5S2
Molecular Weight344.41 g/mol
Exact Mass344.05
IUPAC Name(3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)N=C2C1CCCCC1
InChIInChI=1S/C13H16N2O5S2/c14-22(18,19)20-10-6-7-11-12(8-10)21(16,17)15-13(11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,14,18,19)
InChIKeyQWAXPJMPYBMEBT-UHFFFAOYSA-N
XLogP1.34
TPSA115.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate?
The IUPAC name of (3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate (CID 23117148) is (3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate.
What is the SMILES notation for (3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate?
The canonical SMILES for (3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate is NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)N=C2C1CCCCC1.
What is the InChIKey of (3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate?
The InChIKey is QWAXPJMPYBMEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S2/c14-22(18,19)20-10-6-7-11-12(8-10)21(16,17)15-13(11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,14,18,19).
What are the key properties of (3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate?
(3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate has a molecular weight of 344.41 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1,1-dioxo-1,2-benzothiazol-6-yl) sulfamate is sourced from PubChem (CID 23117148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).