N,N-bis(2-hydroxyethyl)-2-sulfanylacetamide

C6H13NO3S — CID 54417538

IUPACN,N-bis(2-hydroxyethyl)-2-sulfanylacetamide
SMILESO=C(CS)N(CCO)CCO
InChIInChI=1S/C6H13NO3S/c8-3-1-7(2-4-9)6(10)5-11/h8-9,11H,1-5H2
InChIKeyVYMKKDWVWVUGRD-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.27
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-2-sulfanylacetamide

N,N-bis(2-hydroxyethyl)-2-sulfanylacetamide (PubChem CID 54417538) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-sulfanylacetamide
PubChem CID54417538
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameN,N-bis(2-hydroxyethyl)-2-sulfanylacetamide
SMILESO=C(CS)N(CCO)CCO
InChIInChI=1S/C6H13NO3S/c8-3-1-7(2-4-9)6(10)5-11/h8-9,11H,1-5H2
InChIKeyVYMKKDWVWVUGRD-UHFFFAOYSA-N
XLogP-1.27
TPSA60.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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,N-bis(2-hydroxyethyl)-2-sulfanylacetamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-sulfanylacetamide (CID 54417538) is N,N-bis(2-hydroxyethyl)-2-sulfanylacetamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-sulfanylacetamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-sulfanylacetamide is O=C(CS)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-sulfanylacetamide?
The InChIKey is VYMKKDWVWVUGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c8-3-1-7(2-4-9)6(10)5-11/h8-9,11H,1-5H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-2-sulfanylacetamide?
N,N-bis(2-hydroxyethyl)-2-sulfanylacetamide has a molecular weight of 179.24 g/mol, XLogP of -1.27, 5 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)-2-sulfanylacetamide is sourced from PubChem (CID 54417538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).