imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane

C6H15NOS — CID 125456475

IUPACimino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)[C@H](C)C(C)C
InChIInChI=1S/C6H15NOS/c1-5(2)6(3)9(4,7)8/h5-7H,1-4H3/t6-,9+/m1/s1
InChIKeyNHMSSGHPDXIYSF-MUWHJKNJSA-N
MW149.26 g/mol
LogP1.71
Rot. Bonds2

About imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane

imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane (PubChem CID 125456475) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane
PubChem CID125456475
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Nameimino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)[C@H](C)C(C)C
InChIInChI=1S/C6H15NOS/c1-5(2)6(3)9(4,7)8/h5-7H,1-4H3/t6-,9+/m1/s1
InChIKeyNHMSSGHPDXIYSF-MUWHJKNJSA-N
XLogP1.71
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane
CID 165047245
imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane
CID 125457060
[(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 125456687
3-methylbutane-2-sulfonyl bromide
CID 87941804
2-methylsulfonylpropane
CID 163990602
imino-iodo-methyl-oxo-λ6-sulfane
CID 89488893
methanesulfonic acid;1-sulfanylethanol
CID 174795676
3-methylsulfonylbutan-2-ol
CID 13461367
CID 160921753
CID 160921753
1-bromo-1-methylsulfonylethane
CID 87262081
sulfuric acid;tetramethylphosphanium
CID 87132357
tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane
CID 125457263

Frequently Asked Questions

What is the IUPAC name of imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane (CID 125456475) is imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane is [H]N=[S@@](C)(=O)[C@H](C)C(C)C.
What is the InChIKey of imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane?
The InChIKey is NHMSSGHPDXIYSF-MUWHJKNJSA-N. The full InChI is InChI=1S/C6H15NOS/c1-5(2)6(3)9(4,7)8/h5-7H,1-4H3/t6-,9+/m1/s1.
What are the key properties of imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane?
imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane has a molecular weight of 149.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane is sourced from PubChem (CID 125456475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).