2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate

C7H17NO3S — CID 167227775

IUPAC2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate
SMILESCS(C)(C)CCOC(=O)NCO
InChIInChI=1S/C7H17NO3S/c1-12(2,3)5-4-11-7(10)8-6-9/h9H,4-6H2,1-3H3,(H,8,10)
InChIKeyOJINJTCYBGKFBY-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.36
Rot. Bonds4

About 2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate

2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate (PubChem CID 167227775) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate.

Molecular Properties

Compound Name2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate
PubChem CID167227775
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate
SMILESCS(C)(C)CCOC(=O)NCO
InChIInChI=1S/C7H17NO3S/c1-12(2,3)5-4-11-7(10)8-6-9/h9H,4-6H2,1-3H3,(H,8,10)
InChIKeyOJINJTCYBGKFBY-UHFFFAOYSA-N
XLogP0.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate?
The IUPAC name of 2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate (CID 167227775) is 2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate.
What is the SMILES notation for 2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate?
The canonical SMILES for 2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate is CS(C)(C)CCOC(=O)NCO.
What is the InChIKey of 2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate?
The InChIKey is OJINJTCYBGKFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-12(2,3)5-4-11-7(10)8-6-9/h9H,4-6H2,1-3H3,(H,8,10).
What are the key properties of 2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate?
2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate has a molecular weight of 195.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethyl-λ4-sulfanyl)ethyl N-(hydroxymethyl)carbamate is sourced from PubChem (CID 167227775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).