3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate

C7H15NO3S — CID 172550897

IUPAC3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate
SMILESCNC(=O)OCCCSCCO
InChIInChI=1S/C7H15NO3S/c1-8-7(10)11-4-2-5-12-6-3-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyUMHGMPGKKIEJKW-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.46
Rot. Bonds6

About 3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate

3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate (PubChem CID 172550897) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate.

Molecular Properties

Compound Name3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate
PubChem CID172550897
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate
SMILESCNC(=O)OCCCSCCO
InChIInChI=1S/C7H15NO3S/c1-8-7(10)11-4-2-5-12-6-3-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyUMHGMPGKKIEJKW-UHFFFAOYSA-N
XLogP0.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxypentyl N-methylcarbamate
CID 138694704
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
2-(disulfanyl)ethyl N-methylcarbamate
CID 144923803
2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate
CID 15724510
methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate
CID 175278368
4-sulfanylidenebutyl N-methylcarbamate
CID 22381142
3-[2-(2-methoxyethoxy)ethoxy]propyl N-methylcarbamate
CID 177295921
4,4-dimethylpentyl N-methylcarbamate;ethane
CID 159375955
ethane;propyl N-methylcarbamate
CID 142560404
2-(3-butoxypropylsulfanyl)ethanol
CID 57261979
2-(2-hydroxyethylsulfanyl)ethyl N-(sulfanylmethylsulfanylmethyl)carbamate
CID 58670566
5-(methylcarbamoyloxy)-2-methylidenepentanoic acid
CID 87964103

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate?
The IUPAC name of 3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate (CID 172550897) is 3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate.
What is the SMILES notation for 3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate?
The canonical SMILES for 3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate is CNC(=O)OCCCSCCO.
What is the InChIKey of 3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate?
The InChIKey is UMHGMPGKKIEJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-8-7(10)11-4-2-5-12-6-3-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of 3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate?
3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate has a molecular weight of 193.27 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate is sourced from PubChem (CID 172550897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).