sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate

C10H12NNaO3S — CID 67463776

IUPACsodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
SMILESO=S(=O)([O-])NC1CCCc2ccccc21.[Na+]
InChIInChI=1S/C10H13NO3S.Na/c12-15(13,14)11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10-11H,3,5,7H2,(H,12,13,14);/q;+1/p-1
InChIKeyBQOKSEWTCDATAT-UHFFFAOYSA-M
MW249.27 g/mol
LogP-1.88
Rot. Bonds2

About sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate

sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate (PubChem CID 67463776) has the molecular formula C10H12NNaO3S and a molecular weight of 249.27 g/mol. Its IUPAC name is sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate.

Molecular Properties

Compound Namesodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
PubChem CID67463776
Molecular FormulaC10H12NNaO3S
Molecular Weight249.27 g/mol
Exact Mass249.04
IUPAC Namesodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
SMILESO=S(=O)([O-])NC1CCCc2ccccc21.[Na+]
InChIInChI=1S/C10H13NO3S.Na/c12-15(13,14)11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10-11H,3,5,7H2,(H,12,13,14);/q;+1/p-1
InChIKeyBQOKSEWTCDATAT-UHFFFAOYSA-M
XLogP-1.88
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-1.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 79578857
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 1167006
1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide
CID 126806493
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43876005
2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777909
(E)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethenesulfonamide
CID 2375188
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764

Frequently Asked Questions

What is the IUPAC name of sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate?
The IUPAC name of sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate (CID 67463776) is sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate.
What is the SMILES notation for sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate?
The canonical SMILES for sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate is O=S(=O)([O-])NC1CCCc2ccccc21.[Na+].
What is the InChIKey of sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate?
The InChIKey is BQOKSEWTCDATAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13NO3S.Na/c12-15(13,14)11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10-11H,3,5,7H2,(H,12,13,14);/q;+1/p-1.
What are the key properties of sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate?
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate has a molecular weight of 249.27 g/mol, XLogP of -1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate is sourced from PubChem (CID 67463776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).