(2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate

C15H21NO5S — CID 10958393

IUPAC(2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)C(O)CC(C1CCCCC1)O2
InChIInChI=1S/C15H21NO5S/c16-22(18,19)21-11-6-7-14-12(8-11)13(17)9-15(20-14)10-4-2-1-3-5-10/h6-8,10,13,15,17H,1-5,9H2,(H2,16,18,19)
InChIKeyIKIRYZIIGCYLSJ-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.03
Rot. Bonds3

About (2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate

(2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate (PubChem CID 10958393) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is (2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate.

Molecular Properties

Compound Name(2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate
PubChem CID10958393
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name(2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)C(O)CC(C1CCCCC1)O2
InChIInChI=1S/C15H21NO5S/c16-22(18,19)21-11-6-7-14-12(8-11)13(17)9-15(20-14)10-4-2-1-3-5-10/h6-8,10,13,15,17H,1-5,9H2,(H2,16,18,19)
InChIKeyIKIRYZIIGCYLSJ-UHFFFAOYSA-N
XLogP2.03
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate?
The IUPAC name of (2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate (CID 10958393) is (2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate.
What is the SMILES notation for (2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate?
The canonical SMILES for (2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate is NS(=O)(=O)Oc1ccc2c(c1)C(O)CC(C1CCCCC1)O2.
What is the InChIKey of (2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate?
The InChIKey is IKIRYZIIGCYLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c16-22(18,19)21-11-6-7-14-12(8-11)13(17)9-15(20-14)10-4-2-1-3-5-10/h6-8,10,13,15,17H,1-5,9H2,(H2,16,18,19).
What are the key properties of (2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate?
(2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate has a molecular weight of 327.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-hydroxy-3,4-dihydro-2H-chromen-6-yl) sulfamate is sourced from PubChem (CID 10958393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).