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

C10H23NO2S2 — CID 178107959

IUPAC2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen
SMILESCCCC[C@H](C)CSSCCOC(N)=O.[H][H]
InChIInChI=1S/C10H21NO2S2.H2/c1-3-4-5-9(2)8-15-14-7-6-13-10(11)12;/h9H,3-8H2,1-2H3,(H2,11,12);1H/t9-;/m0./s1
InChIKeyUVIBBXGFRBMPNH-FVGYRXGTSA-N
MW253.43 g/mol
LogP3.54
Rot. Bonds9

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

2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen (PubChem CID 178107959) has the molecular formula C10H23NO2S2 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen.

Molecular Properties

Compound Name2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen
PubChem CID178107959
Molecular FormulaC10H23NO2S2
Molecular Weight253.43 g/mol
Exact Mass253.12
IUPAC Name2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen
SMILESCCCC[C@H](C)CSSCCOC(N)=O.[H][H]
InChIInChI=1S/C10H21NO2S2.H2/c1-3-4-5-9(2)8-15-14-7-6-13-10(11)12;/h9H,3-8H2,1-2H3,(H2,11,12);1H/t9-;/m0./s1
InChIKeyUVIBBXGFRBMPNH-FVGYRXGTSA-N
XLogP3.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.54
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'}

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Related Compounds

2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen
CID 178108063
2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate
CID 153365788
2-[[(2R)-2-ethylhexyl]disulfanyl]ethyl N-ethyl-N-methylcarbamate;2-[[(2S)-2-ethylhexyl]disulfanyl]ethyl N-ethyl-N-methylcarbamate
CID 178108116
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;hydroiodide
CID 161347358
octacosyl carbamate
CID 160925840
ethane;pentyl carbamate
CID 142339635
bis(4-methyloctyl) butanedioate
CID 177339681
2-butyloctyl carbamate
CID 22099120
3-methylheptyl carbonochloridate
CID 20702686
3-(3-methylheptoxy)propanamide
CID 166649066

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen?
The IUPAC name of 2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen (CID 178107959) is 2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen.
What is the SMILES notation for 2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen?
The canonical SMILES for 2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen is CCCC[C@H](C)CSSCCOC(N)=O.[H][H].
What is the InChIKey of 2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen?
The InChIKey is UVIBBXGFRBMPNH-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H21NO2S2.H2/c1-3-4-5-9(2)8-15-14-7-6-13-10(11)12;/h9H,3-8H2,1-2H3,(H2,11,12);1H/t9-;/m0./s1.
What are the key properties of 2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen?
2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen has a molecular weight of 253.43 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-methylhexyl]disulfanyl]ethyl carbamate;molecular hydrogen is sourced from PubChem (CID 178107959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).