N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide

C11H21NO2S2 — CID 139774925

IUPACN-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide
SMILESCCC(CC)SSC(CCO)=C(C)NC=O
InChIInChI=1S/C11H21NO2S2/c1-4-10(5-2)15-16-11(6-7-13)9(3)12-8-14/h8,10,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyYJNKJSPAYVCLQH-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.92
Rot. Bonds9

About N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide

N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide (PubChem CID 139774925) has the molecular formula C11H21NO2S2 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide.

Molecular Properties

Compound NameN-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide
PubChem CID139774925
Molecular FormulaC11H21NO2S2
Molecular Weight263.43 g/mol
Exact Mass263.10
IUPAC NameN-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide
SMILESCCC(CC)SSC(CCO)=C(C)NC=O
InChIInChI=1S/C11H21NO2S2/c1-4-10(5-2)15-16-11(6-7-13)9(3)12-8-14/h8,10,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyYJNKJSPAYVCLQH-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide?
The IUPAC name of N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide (CID 139774925) is N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide.
What is the SMILES notation for N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide?
The canonical SMILES for N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide is CCC(CC)SSC(CCO)=C(C)NC=O.
What is the InChIKey of N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide?
The InChIKey is YJNKJSPAYVCLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S2/c1-4-10(5-2)15-16-11(6-7-13)9(3)12-8-14/h8,10,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide?
N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide has a molecular weight of 263.43 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide is sourced from PubChem (CID 139774925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).