N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide

C8H17NO2S — CID 57306026

IUPACN-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide
SMILESCN(CCO)C(=O)CC(C)(C)S
InChIInChI=1S/C8H17NO2S/c1-8(2,12)6-7(11)9(3)4-5-10/h10,12H,4-6H2,1-3H3
InChIKeyLZBGPSLUTDIWJZ-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.54
Rot. Bonds4

About N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide

N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide (PubChem CID 57306026) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide
PubChem CID57306026
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide
SMILESCN(CCO)C(=O)CC(C)(C)S
InChIInChI=1S/C8H17NO2S/c1-8(2,12)6-7(11)9(3)4-5-10/h10,12H,4-6H2,1-3H3
InChIKeyLZBGPSLUTDIWJZ-UHFFFAOYSA-N
XLogP0.54
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide?
The IUPAC name of N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide (CID 57306026) is N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide is CN(CCO)C(=O)CC(C)(C)S.
What is the InChIKey of N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide?
The InChIKey is LZBGPSLUTDIWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2,12)6-7(11)9(3)4-5-10/h10,12H,4-6H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide?
N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide has a molecular weight of 191.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,3-dimethyl-3-sulfanylbutanamide is sourced from PubChem (CID 57306026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).