2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate

C8H17NO4S — CID 106248558

IUPAC2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
SMILESCSCC(C)(O)CNC(=O)OCCO
InChIInChI=1S/C8H17NO4S/c1-8(12,6-14-2)5-9-7(11)13-4-3-10/h10,12H,3-6H2,1-2H3,(H,9,11)
InChIKeyIKFTYGVXFKFUOQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.18
Rot. Bonds6

About 2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate

2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate (PubChem CID 106248558) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
PubChem CID106248558
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
SMILESCSCC(C)(O)CNC(=O)OCCO
InChIInChI=1S/C8H17NO4S/c1-8(12,6-14-2)5-9-7(11)13-4-3-10/h10,12H,3-6H2,1-2H3,(H,9,11)
InChIKeyIKFTYGVXFKFUOQ-UHFFFAOYSA-N
XLogP-0.18
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate
CID 79349609
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea
CID 90523244
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247746
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
CID 106247589
2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate
CID 58670771
2-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethoxy]acetic acid
CID 106244362
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
CID 106247633
3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247798
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoate
CID 114163451
3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114163245
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
CID 90522931

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate (CID 106248558) is 2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate is CSCC(C)(O)CNC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate?
The InChIKey is IKFTYGVXFKFUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-8(12,6-14-2)5-9-7(11)13-4-3-10/h10,12H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate?
2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate has a molecular weight of 223.29 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate is sourced from PubChem (CID 106248558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).