2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate

C6H15NO6S — CID 19028458

IUPAC2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate
SMILESO=S(=O)(OCCO)N(CCO)CCO
InChIInChI=1S/C6H15NO6S/c8-3-1-7(2-4-9)14(11,12)13-6-5-10/h8-10H,1-6H2
InChIKeyXQJQIIHIRFYHIS-UHFFFAOYSA-N
MW229.25 g/mol
LogP-2.47
Rot. Bonds8

About 2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate

2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate (PubChem CID 19028458) has the molecular formula C6H15NO6S and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate.

Molecular Properties

Compound Name2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate
PubChem CID19028458
Molecular FormulaC6H15NO6S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate
SMILESO=S(=O)(OCCO)N(CCO)CCO
InChIInChI=1S/C6H15NO6S/c8-3-1-7(2-4-9)14(11,12)13-6-5-10/h8-10H,1-6H2
InChIKeyXQJQIIHIRFYHIS-UHFFFAOYSA-N
XLogP-2.47
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 5-2.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

hydron;2-hydroxyethyl sulfate
CID 173263896
1-hydroxy-2-sulfosulfonyloxyethane
CID 150256319
2-hydroxyethyl sulfanyl sulfate
CID 155762422
azane;2-hydroxyethyl methyl sulfate
CID 87122976
2-[dipropylsulfamoyl(2-hydroxyethyl)amino]ethanol
CID 61233822
2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide
CID 107651201
2-[2-hydroxyethyl(methyl)amino]ethyl sulfate
CID 59107411
4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113317285
N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 61233827
butyl(2-hydroxyethyl)sulfamic acid
CID 134897144
1-[ethylsulfamoyl(2-hydroxyethyl)amino]-2-hydroxyethane
CID 115899468
N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide
CID 79672794

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate?
The IUPAC name of 2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate (CID 19028458) is 2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate.
What is the SMILES notation for 2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate?
The canonical SMILES for 2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate is O=S(=O)(OCCO)N(CCO)CCO.
What is the InChIKey of 2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate?
The InChIKey is XQJQIIHIRFYHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6S/c8-3-1-7(2-4-9)14(11,12)13-6-5-10/h8-10H,1-6H2.
What are the key properties of 2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate?
2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate has a molecular weight of 229.25 g/mol, XLogP of -2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate is sourced from PubChem (CID 19028458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).