N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide

C7H15NO3S — CID 54014173

IUPACN,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide
SMILESO=C(CCS)N(CCO)CCO
InChIInChI=1S/C7H15NO3S/c9-4-2-8(3-5-10)7(11)1-6-12/h9-10,12H,1-6H2
InChIKeyKULUFRRUBMEIHQ-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.88
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide

N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide (PubChem CID 54014173) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide
PubChem CID54014173
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide
SMILESO=C(CCS)N(CCO)CCO
InChIInChI=1S/C7H15NO3S/c9-4-2-8(3-5-10)7(11)1-6-12/h9-10,12H,1-6H2
InChIKeyKULUFRRUBMEIHQ-UHFFFAOYSA-N
XLogP-0.88
TPSA60.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide 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

N-(2-Hydroxyethyl)-3-mercaptopropanamide
CID 19695612
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107494883
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylpropanamide
CID 107494885
N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107494898
N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107494900
N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 11105687
N,N-bis(2-hydroxyethyl)-4-sulfanylbutanamide
CID 17882732
N,N-Bis(2-hydroxyethyl)-2-mercaptoacetamide
CID 54417538
N-butyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 65628622
N-(2-hydroxyethyl)-2-sulfanylpropanamide
CID 85792500
N,N-diethyl-2-hydroxy-3-sulfanylpropanamide
CID 86078182
2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide
CID 86078184

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide (CID 54014173) is N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide is O=C(CCS)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide?
The InChIKey is KULUFRRUBMEIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c9-4-2-8(3-5-10)7(11)1-6-12/h9-10,12H,1-6H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide?
N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide has a molecular weight of 193.27 g/mol, XLogP of -0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 54014173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).