imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane

C8H19NOS — CID 125457060

IUPACimino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane
SMILES[H]N=[S@](=O)(CCC)[C@@H](C)C(C)C
InChIInChI=1S/C8H19NOS/c1-5-6-11(9,10)8(4)7(2)3/h7-9H,5-6H2,1-4H3/t8-,11-/m0/s1
InChIKeyVDOIKUQDYFPPEJ-KWQFWETISA-N
MW177.31 g/mol
LogP2.49
Rot. Bonds4

About imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane

imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane (PubChem CID 125457060) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane.

Molecular Properties

Compound Nameimino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane
PubChem CID125457060
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Nameimino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane
SMILES[H]N=[S@](=O)(CCC)[C@@H](C)C(C)C
InChIInChI=1S/C8H19NOS/c1-5-6-11(9,10)8(4)7(2)3/h7-9H,5-6H2,1-4H3/t8-,11-/m0/s1
InChIKeyVDOIKUQDYFPPEJ-KWQFWETISA-N
XLogP2.49
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane
CID 125456475
imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane
CID 125455805
2,3-dimethyl-1-propylsulfonylbutane
CID 172857975
1-propylsulfonylpropane
CID 11709
1-(1-chloroethylsulfonyl)propane
CID 23323737
N-(2-methylpentan-3-yl)propane-1-sulfonamide
CID 61481422
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine
CID 107757362
2-(propan-2-ylsulfonimidoyl)ethanol
CID 167337272
4-(3-methylbutan-2-ylsulfonyl)-N-propylbutan-2-amine
CID 107759127
2-propylsulfonylpropan-1-amine
CID 64697615
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
CID 125455135

Frequently Asked Questions

What is the IUPAC name of imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane?
The IUPAC name of imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane (CID 125457060) is imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane.
What is the SMILES notation for imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane?
The canonical SMILES for imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane is [H]N=[S@](=O)(CCC)[C@@H](C)C(C)C.
What is the InChIKey of imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane?
The InChIKey is VDOIKUQDYFPPEJ-KWQFWETISA-N. The full InChI is InChI=1S/C8H19NOS/c1-5-6-11(9,10)8(4)7(2)3/h7-9H,5-6H2,1-4H3/t8-,11-/m0/s1.
What are the key properties of imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane?
imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane has a molecular weight of 177.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane is sourced from PubChem (CID 125457060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).