3,4-dihydro-2H-chromen-2-ylmethyl sulfamate

C10H13NO4S — CID 11356944

IUPAC3,4-dihydro-2H-chromen-2-ylmethyl sulfamate
SMILESNS(=O)(=O)OCC1CCc2ccccc2O1
InChIInChI=1S/C10H13NO4S/c11-16(12,13)14-7-9-6-5-8-3-1-2-4-10(8)15-9/h1-4,9H,5-7H2,(H2,11,12,13)
InChIKeyOXNGFJDSVRPPCH-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.60
Rot. Bonds3

About 3,4-dihydro-2H-chromen-2-ylmethyl sulfamate

3,4-dihydro-2H-chromen-2-ylmethyl sulfamate (PubChem CID 11356944) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-ylmethyl sulfamate.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-2-ylmethyl sulfamate
PubChem CID11356944
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name3,4-dihydro-2H-chromen-2-ylmethyl sulfamate
SMILESNS(=O)(=O)OCC1CCc2ccccc2O1
InChIInChI=1S/C10H13NO4S/c11-16(12,13)14-7-9-6-5-8-3-1-2-4-10(8)15-9/h1-4,9H,5-7H2,(H2,11,12,13)
InChIKeyOXNGFJDSVRPPCH-UHFFFAOYSA-N
XLogP0.60
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzopyran
CID 9211
Flavan
CID 94156
Ammonium 2-(4-nonylphenoxy)ethyl sulfate
CID 169348
Chroman
CID 136319
2,2-Dimethylchroman
CID 136936
3,4-dihydro-2H-1-benzopyran-3-ol
CID 591520
2-(Hydroxymethyl)chroman
CID 2794816
(1R)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-1,2-ethanediol
CID 11206617
Sulfamic acid chroman-2-ylmethyl amine
CID 11230247
2-Methylchroman
CID 380149
2-phenyl-2H-chromene
CID 11805918
(2S)-flavan
CID 1232441

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-ylmethyl sulfamate?
The IUPAC name of 3,4-dihydro-2H-chromen-2-ylmethyl sulfamate (CID 11356944) is 3,4-dihydro-2H-chromen-2-ylmethyl sulfamate.
What is the SMILES notation for 3,4-dihydro-2H-chromen-2-ylmethyl sulfamate?
The canonical SMILES for 3,4-dihydro-2H-chromen-2-ylmethyl sulfamate is NS(=O)(=O)OCC1CCc2ccccc2O1.
What is the InChIKey of 3,4-dihydro-2H-chromen-2-ylmethyl sulfamate?
The InChIKey is OXNGFJDSVRPPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c11-16(12,13)14-7-9-6-5-8-3-1-2-4-10(8)15-9/h1-4,9H,5-7H2,(H2,11,12,13).
What are the key properties of 3,4-dihydro-2H-chromen-2-ylmethyl sulfamate?
3,4-dihydro-2H-chromen-2-ylmethyl sulfamate has a molecular weight of 243.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-2-ylmethyl sulfamate is sourced from PubChem (CID 11356944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).