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

C15H21NO4S — CID 11781904

IUPAC(2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)CCC(C1CCCCC1)O2
InChIInChI=1S/C15H21NO4S/c16-21(17,18)20-13-7-9-15-12(10-13)6-8-14(19-15)11-4-2-1-3-5-11/h7,9-11,14H,1-6,8H2,(H2,16,17,18)
InChIKeyBRXDSFPURDLNJC-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.54
Rot. Bonds3

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

(2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate (PubChem CID 11781904) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is (2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate.

Molecular Properties

Compound Name(2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate
PubChem CID11781904
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name(2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)CCC(C1CCCCC1)O2
InChIInChI=1S/C15H21NO4S/c16-21(17,18)20-13-7-9-15-12(10-13)6-8-14(19-15)11-4-2-1-3-5-11/h7,9-11,14H,1-6,8H2,(H2,16,17,18)
InChIKeyBRXDSFPURDLNJC-UHFFFAOYSA-N
XLogP2.54
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate?
The IUPAC name of (2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate (CID 11781904) is (2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate.
What is the SMILES notation for (2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate?
The canonical SMILES for (2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate is NS(=O)(=O)Oc1ccc2c(c1)CCC(C1CCCCC1)O2.
What is the InChIKey of (2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate?
The InChIKey is BRXDSFPURDLNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c16-21(17,18)20-13-7-9-15-12(10-13)6-8-14(19-15)11-4-2-1-3-5-11/h7,9-11,14H,1-6,8H2,(H2,16,17,18).
What are the key properties of (2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate?
(2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate has a molecular weight of 311.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-3,4-dihydro-2H-chromen-6-yl) sulfamate is sourced from PubChem (CID 11781904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).