2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen

C11H25NO2S2 — CID 178108063

IUPAC2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen
SMILESCCCC[C@H](CC)CSSCCOC(N)=O.[H][H]
InChIInChI=1S/C11H23NO2S2.H2/c1-3-5-6-10(4-2)9-16-15-8-7-14-11(12)13;/h10H,3-9H2,1-2H3,(H2,12,13);1H/t10-;/m0./s1
InChIKeyFVGWGXBOWNXNHB-PPHPATTJSA-N
MW267.46 g/mol
LogP3.93
Rot. Bonds10

About 2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen

2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen (PubChem CID 178108063) has the molecular formula C11H25NO2S2 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen.

Molecular Properties

Compound Name2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen
PubChem CID178108063
Molecular FormulaC11H25NO2S2
Molecular Weight267.46 g/mol
Exact Mass267.13
IUPAC Name2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen
SMILESCCCC[C@H](CC)CSSCCOC(N)=O.[H][H]
InChIInChI=1S/C11H23NO2S2.H2/c1-3-5-6-10(4-2)9-16-15-8-7-14-11(12)13;/h10H,3-9H2,1-2H3,(H2,12,13);1H/t10-;/m0./s1
InChIKeyFVGWGXBOWNXNHB-PPHPATTJSA-N
XLogP3.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen
CID 178107959
2-[[(2R)-2-ethylhexyl]disulfanyl]ethyl N-ethyl-N-methylcarbamate;2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl N-ethyl-N-methylcarbamate
CID 178108116
2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate
CID 153365788
S-(2-ethylhexyl) 2-hydroxyethanethioate
CID 57180987
2-butyloctyl carbamate
CID 22099120
(3S)-3-[[(2R)-2-ethylhexyl]sulfanylmethyl]heptane
CID 92525109
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;hydroiodide
CID 161347358
2-ethylhexyl carbamodithioate;iron
CID 161170944
4-ethyloctyl 2-methylprop-2-enoate
CID 57022473
2-(4-ethyl-2-methylideneoctanoyl)oxyethyl 4-ethyl-2-methylideneoctanoate
CID 87287852

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen?
The IUPAC name of 2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen (CID 178108063) is 2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen.
What is the SMILES notation for 2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen?
The canonical SMILES for 2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen is CCCC[C@H](CC)CSSCCOC(N)=O.[H][H].
What is the InChIKey of 2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen?
The InChIKey is FVGWGXBOWNXNHB-PPHPATTJSA-N. The full InChI is InChI=1S/C11H23NO2S2.H2/c1-3-5-6-10(4-2)9-16-15-8-7-14-11(12)13;/h10H,3-9H2,1-2H3,(H2,12,13);1H/t10-;/m0./s1.
What are the key properties of 2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen?
2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen has a molecular weight of 267.46 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen is sourced from PubChem (CID 178108063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).