2-ethylhexyl N-sulfinylcarbamate

C9H17NO3S — CID 19777045

IUPAC2-ethylhexyl N-sulfinylcarbamate
SMILESCCCCC(CC)COC(=O)N=S=O
InChIInChI=1S/C9H17NO3S/c1-3-5-6-8(4-2)7-13-9(11)10-14-12/h8H,3-7H2,1-2H3
InChIKeyMGYOMIMFIHOQSR-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.74
Rot. Bonds6

About 2-ethylhexyl N-sulfinylcarbamate

2-ethylhexyl N-sulfinylcarbamate (PubChem CID 19777045) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-ethylhexyl N-sulfinylcarbamate.

Molecular Properties

Compound Name2-ethylhexyl N-sulfinylcarbamate
PubChem CID19777045
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-ethylhexyl N-sulfinylcarbamate
SMILESCCCCC(CC)COC(=O)N=S=O
InChIInChI=1S/C9H17NO3S/c1-3-5-6-8(4-2)7-13-9(11)10-14-12/h8H,3-7H2,1-2H3
InChIKeyMGYOMIMFIHOQSR-UHFFFAOYSA-N
XLogP2.74
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646172
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
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CID 54105365
acetic acid;2-ethylhexyl acetate
CID 159619780
2-ethylhexyl 2-aminohexanoate
CID 61303871
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
bis(2-ethylhexyl propanoate);hydroxylamine
CID 88651509
ethyl 2-ethylhexyl carbonate
CID 54194012

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-sulfinylcarbamate?
The IUPAC name of 2-ethylhexyl N-sulfinylcarbamate (CID 19777045) is 2-ethylhexyl N-sulfinylcarbamate.
What is the SMILES notation for 2-ethylhexyl N-sulfinylcarbamate?
The canonical SMILES for 2-ethylhexyl N-sulfinylcarbamate is CCCCC(CC)COC(=O)N=S=O.
What is the InChIKey of 2-ethylhexyl N-sulfinylcarbamate?
The InChIKey is MGYOMIMFIHOQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-3-5-6-8(4-2)7-13-9(11)10-14-12/h8H,3-7H2,1-2H3.
What are the key properties of 2-ethylhexyl N-sulfinylcarbamate?
2-ethylhexyl N-sulfinylcarbamate has a molecular weight of 219.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-sulfinylcarbamate is sourced from PubChem (CID 19777045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).