CID 155068879

C8H20N2O2S4 — CID 155068879

IUPAC—
SMILESCC(=O)NCCS.CC(=O)NCCS.SS
InChIInChI=1S/2C4H9NOS.H2S2/c2*1-4(6)5-2-3-7;1-2/h2*7H,2-3H2,1H3,(H,5,6);1-2H
InChIKeyHTXVKMCPGCLTGR-UHFFFAOYSA-N
MW304.53 g/mol
LogP0.87
Rot. Bonds4

About CID 155068879

CID 155068879 (PubChem CID 155068879) has the molecular formula C8H20N2O2S4 and a molecular weight of 304.53 g/mol.

Molecular Properties

Compound NameCID 155068879
PubChem CID155068879
Molecular FormulaC8H20N2O2S4
Molecular Weight304.53 g/mol
Exact Mass304.04
IUPAC Name—
SMILESCC(=O)NCCS.CC(=O)NCCS.SS
InChIInChI=1S/2C4H9NOS.H2S2/c2*1-4(6)5-2-3-7;1-2/h2*7H,2-3H2,1H3,(H,5,6);1-2H
InChIKeyHTXVKMCPGCLTGR-UHFFFAOYSA-N
XLogP0.87
TPSA58.20 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.53
LogP ≤ 50.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidopropyl)acetamide
CID 5147555
N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 75480326
(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide
CID 102305580
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889
3-hydroxy-2-methylhept-6-enoic acid;N-(2-sulfanylethyl)acetamide
CID 87844216
(E,4S,5R)-5-hydroxy-4-methylhept-2-enoic acid;N-(2-sulfanylethyl)acetamide
CID 87845920
CID 88764909
CID 88764909
N-ethylacetamide;hydrochloride
CID 87177071
N-(2-acetamidoethyl)-3-[[3-(2-acetamidoethylamino)-3-oxopropyl]-(2-sulfanylethyl)amino]propanamide
CID 58991254
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037

Frequently Asked Questions

What is the IUPAC name of CID 155068879?
The IUPAC name of CID 155068879 (CID 155068879) is not available.
What is the SMILES notation for CID 155068879?
The canonical SMILES for CID 155068879 is CC(=O)NCCS.CC(=O)NCCS.SS.
What is the InChIKey of CID 155068879?
The InChIKey is HTXVKMCPGCLTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NOS.H2S2/c2*1-4(6)5-2-3-7;1-2/h2*7H,2-3H2,1H3,(H,5,6);1-2H.
What are the key properties of CID 155068879?
CID 155068879 has a molecular weight of 304.53 g/mol, XLogP of 0.87, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155068879 is sourced from PubChem (CID 155068879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).