5,6,7,8-tetrahydronaphthalen-2-yl sulfamate

C10H13NO3S — CID 10059630

IUPAC5,6,7,8-tetrahydronaphthalen-2-yl sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C10H13NO3S/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H2,11,12,13)
InChIKeyUZQBSKJYCKNUPW-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.15
Rot. Bonds2

About 5,6,7,8-tetrahydronaphthalen-2-yl sulfamate

5,6,7,8-tetrahydronaphthalen-2-yl sulfamate (PubChem CID 10059630) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-2-yl sulfamate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-2-yl sulfamate
PubChem CID10059630
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name5,6,7,8-tetrahydronaphthalen-2-yl sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C10H13NO3S/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H2,11,12,13)
InChIKeyUZQBSKJYCKNUPW-UHFFFAOYSA-N
XLogP1.15
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Naphthol
CID 8663
2,6-Dihydroxynaphthalene
CID 93552
5,6,7,8-Tetrahydro-2-naphthol
CID 14305
Nomate
CID 52918369
4-Tert-butylphenylsulfamate
CID 10868086
4-Methylphenyl sulfamate
CID 12411101
Sulfamic acid, [1,1'-biphenyl]-4-yl ester
CID 12411107
4''-(Trifluoromethyl)-4-biphenylyl sulfamate
CID 15541181
Naphthalen-2-yl sulfamate
CID 21149346
2-Naphthyl Trifluoromethanesulfonate
CID 4546341
1-Naphthyl sulfate
CID 114775
[4-[(E)-4-(4-sulfamoyloxyphenyl)hex-3-en-3-yl]phenyl] sulfamate
CID 11384786

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl sulfamate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl sulfamate (CID 10059630) is 5,6,7,8-tetrahydronaphthalen-2-yl sulfamate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-2-yl sulfamate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-2-yl sulfamate is NS(=O)(=O)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-2-yl sulfamate?
The InChIKey is UZQBSKJYCKNUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H2,11,12,13).
What are the key properties of 5,6,7,8-tetrahydronaphthalen-2-yl sulfamate?
5,6,7,8-tetrahydronaphthalen-2-yl sulfamate has a molecular weight of 227.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-2-yl sulfamate is sourced from PubChem (CID 10059630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).