N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide

C10H20N2O4S2 — CID 87700525

IUPACN-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide
SMILESCC(O)CNC(=O)CSSCC(=O)NCC(C)O
InChIInChI=1S/C10H20N2O4S2/c1-7(13)3-11-9(15)5-17-18-6-10(16)12-4-8(2)14/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyYGTRMQJVHPUJFO-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.64
Rot. Bonds9

About N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide

N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide (PubChem CID 87700525) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide
PubChem CID87700525
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC NameN-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide
SMILESCC(O)CNC(=O)CSSCC(=O)NCC(C)O
InChIInChI=1S/C10H20N2O4S2/c1-7(13)3-11-9(15)5-17-18-6-10(16)12-4-8(2)14/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyYGTRMQJVHPUJFO-UHFFFAOYSA-N
XLogP-0.64
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide?
The IUPAC name of N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide (CID 87700525) is N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide is CC(O)CNC(=O)CSSCC(=O)NCC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide?
The InChIKey is YGTRMQJVHPUJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c1-7(13)3-11-9(15)5-17-18-6-10(16)12-4-8(2)14/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16).
What are the key properties of N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide?
N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide has a molecular weight of 296.41 g/mol, XLogP of -0.64, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide is sourced from PubChem (CID 87700525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).