N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide

C7H16N2O2S — CID 23177227

IUPACN-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide
SMILESO=C(CCNCCS)NCCO
InChIInChI=1S/C7H16N2O2S/c10-5-3-9-7(11)1-2-8-4-6-12/h8,10,12H,1-6H2,(H,9,11)
InChIKeyFDPCDTWAKKPKCG-UHFFFAOYSA-N
MW192.28 g/mol
LogP-1.00
Rot. Bonds7

About N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide

N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide (PubChem CID 23177227) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide
PubChem CID23177227
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide
SMILESO=C(CCNCCS)NCCO
InChIInChI=1S/C7H16N2O2S/c10-5-3-9-7(11)1-2-8-4-6-12/h8,10,12H,1-6H2,(H,9,11)
InChIKeyFDPCDTWAKKPKCG-UHFFFAOYSA-N
XLogP-1.00
TPSA61.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide (CID 23177227) is N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide is O=C(CCNCCS)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide?
The InChIKey is FDPCDTWAKKPKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c10-5-3-9-7(11)1-2-8-4-6-12/h8,10,12H,1-6H2,(H,9,11).
What are the key properties of N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide?
N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide has a molecular weight of 192.28 g/mol, XLogP of -1.00, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide is sourced from PubChem (CID 23177227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).