N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate

C15H18NO5S- — CID 3104968

IUPACN-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate
SMILESCCN(CC(O)COc1ccc2ccccc2c1)S(=O)(=O)[O-]
InChIInChI=1S/C15H19NO5S/c1-2-16(22(18,19)20)10-14(17)11-21-15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14,17H,2,10-11H2,1H3,(H,18,19,20)/p-1
InChIKeyAKJXGNWOIJDDKL-UHFFFAOYSA-M
MW324.38 g/mol
LogP1.36
Rot. Bonds7

About N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate

N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate (PubChem CID 3104968) has the molecular formula C15H18NO5S- and a molecular weight of 324.38 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate
PubChem CID3104968
Molecular FormulaC15H18NO5S-
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC NameN-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate
SMILESCCN(CC(O)COc1ccc2ccccc2c1)S(=O)(=O)[O-]
InChIInChI=1S/C15H19NO5S/c1-2-16(22(18,19)20)10-14(17)11-21-15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14,17H,2,10-11H2,1H3,(H,18,19,20)/p-1
InChIKeyAKJXGNWOIJDDKL-UHFFFAOYSA-M
XLogP1.36
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
1-(dipropylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2834359
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
3-hydroxy-4-naphthalen-2-yloxybutane-1-sulfonic acid
CID 90272213
1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2884745
(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1368771
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium
CID 7452468
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methylsulfamate
CID 3706704

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate?
The IUPAC name of N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate (CID 3104968) is N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate?
The canonical SMILES for N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate is CCN(CC(O)COc1ccc2ccccc2c1)S(=O)(=O)[O-].
What is the InChIKey of N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate?
The InChIKey is AKJXGNWOIJDDKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19NO5S/c1-2-16(22(18,19)20)10-14(17)11-21-15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14,17H,2,10-11H2,1H3,(H,18,19,20)/p-1.
What are the key properties of N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate?
N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate has a molecular weight of 324.38 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate is sourced from PubChem (CID 3104968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).