N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide

C10H20N2O4S — CID 20558492

IUPACN-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide
SMILESO=C(CCSCCC(=O)NCCO)NCCO
InChIInChI=1S/C10H20N2O4S/c13-5-3-11-9(15)1-7-17-8-2-10(16)12-4-6-14/h13-14H,1-8H2,(H,11,15)(H,12,16)
InChIKeyGICOAZXITWUIGR-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.28
Rot. Bonds10

About N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide

N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide (PubChem CID 20558492) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide
PubChem CID20558492
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC NameN-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide
SMILESO=C(CCSCCC(=O)NCCO)NCCO
InChIInChI=1S/C10H20N2O4S/c13-5-3-11-9(15)1-7-17-8-2-10(16)12-4-6-14/h13-14H,1-8H2,(H,11,15)(H,12,16)
InChIKeyGICOAZXITWUIGR-UHFFFAOYSA-N
XLogP-1.28
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 3035981
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3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
CID 107483232
3-(2-amino-2-oxoethyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
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N-[3-(2-hydroxyethylsulfanyl)propyl]acetamide
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N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide
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3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]propanamide;hydrochloride
CID 20261867
3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]propanamide
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2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide
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[1-(2-Hydroxyethylamino)-1-oxopropan-2-yl] ethanedithioate
CID 21137943
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide (CID 20558492) is N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide is O=C(CCSCCC(=O)NCCO)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide?
The InChIKey is GICOAZXITWUIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c13-5-3-11-9(15)1-7-17-8-2-10(16)12-4-6-14/h13-14H,1-8H2,(H,11,15)(H,12,16).
What are the key properties of N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide?
N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide has a molecular weight of 264.35 g/mol, XLogP of -1.28, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide is sourced from PubChem (CID 20558492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).