N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide

C7H14N2O3S — CID 19607288

IUPACN-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide
SMILESO=C(CC(=O)NCCS)NCCO
InChIInChI=1S/C7H14N2O3S/c10-3-1-8-6(11)5-7(12)9-2-4-13/h10,13H,1-5H2,(H,8,11)(H,9,12)
InChIKeyIVDMPRJPWMJHIP-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.47
Rot. Bonds6

About N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide

N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide (PubChem CID 19607288) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide
PubChem CID19607288
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide
SMILESO=C(CC(=O)NCCS)NCCO
InChIInChI=1S/C7H14N2O3S/c10-3-1-8-6(11)5-7(12)9-2-4-13/h10,13H,1-5H2,(H,8,11)(H,9,12)
InChIKeyIVDMPRJPWMJHIP-UHFFFAOYSA-N
XLogP-1.47
TPSA78.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 14480079
3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide
CID 65416830
N'-(2-sulfanylethyl)butanediamide
CID 15293890
2-phosphanyloxy-N-(2-sulfanylethyl)acetamide
CID 59364582
N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
CID 86062914
1-N,2-N,3-N-tris(2-sulfanylethyl)propane-1,2,3-tricarboxamide
CID 10132786
N,N'-bis(2-hydroxyethyl)-2,2-bis(sulfanyl)butanediamide
CID 87982116
ethyl 3-(2-hydroxyethylamino)-3-oxopropanoate
CID 15937007
imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium
CID 46943412
[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid
CID 89354433
CID 155068879
CID 155068879
N-(2-sulfanylethyl)octanamide
CID 521749

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide?
The IUPAC name of N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide (CID 19607288) is N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide?
The canonical SMILES for N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide is O=C(CC(=O)NCCS)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide?
The InChIKey is IVDMPRJPWMJHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c10-3-1-8-6(11)5-7(12)9-2-4-13/h10,13H,1-5H2,(H,8,11)(H,9,12).
What are the key properties of N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide?
N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide has a molecular weight of 206.27 g/mol, XLogP of -1.47, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide is sourced from PubChem (CID 19607288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).