N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide

C8H15NO2S — CID 102875349

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
SMILESO=C(CS)N(CCO)C1CCC1
InChIInChI=1S/C8H15NO2S/c10-5-4-9(8(11)6-12)7-2-1-3-7/h7,10,12H,1-6H2
InChIKeyBXIUWYGZQFIXGQ-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.29
Rot. Bonds4

About N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide

N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide (PubChem CID 102875349) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
PubChem CID102875349
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
SMILESO=C(CS)N(CCO)C1CCC1
InChIInChI=1S/C8H15NO2S/c10-5-4-9(8(11)6-12)7-2-1-3-7/h7,10,12H,1-6H2
InChIKeyBXIUWYGZQFIXGQ-UHFFFAOYSA-N
XLogP0.29
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-hydroxyethyl)-4-sulfanylbutanamide
CID 17882732
N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide
CID 54014173
N-butyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 65628622
N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107024756
N-(2-hydroxyethyl)-N-(1-hydroxy-3-sulfanylpropan-2-yl)acetamide
CID 140042026
N-(2-hydroxyethyl)-N-propan-2-yl-2-sulfanylacetamide
CID 65627206
N-cyclopropyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 65627207
N-(2-hydroxyethyl)-N-pentan-3-yl-2-sulfanylacetamide
CID 65627210
N-cyclopentyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 65627405
N-(2-hydroxyethyl)-N-propyl-2-sulfanylacetamide
CID 65627602
N-(2-hydroxyethyl)-N-propan-2-yl-2-sulfanylpropanamide
CID 85792508
N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 102684178

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide (CID 102875349) is N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide is O=C(CS)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide?
The InChIKey is BXIUWYGZQFIXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c10-5-4-9(8(11)6-12)7-2-1-3-7/h7,10,12H,1-6H2.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide?
N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide has a molecular weight of 189.28 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide is sourced from PubChem (CID 102875349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).