imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane

C8H19NOS — CID 125455805

IUPACimino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane
SMILES[H]N=[S@](=O)(CCC)C[C@@H](C)CC
InChIInChI=1S/C8H19NOS/c1-4-6-11(9,10)7-8(3)5-2/h8-9H,4-7H2,1-3H3/t8-,11-/m0/s1
InChIKeyHISBHRRJUXTSNE-KWQFWETISA-N
MW177.31 g/mol
LogP2.49
Rot. Bonds5

About imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane

imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane (PubChem CID 125455805) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane.

Molecular Properties

Compound Nameimino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane
PubChem CID125455805
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Nameimino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane
SMILES[H]N=[S@](=O)(CCC)C[C@@H](C)CC
InChIInChI=1S/C8H19NOS/c1-4-6-11(9,10)7-8(3)5-2/h8-9H,4-7H2,1-3H3/t8-,11-/m0/s1
InChIKeyHISBHRRJUXTSNE-KWQFWETISA-N
XLogP2.49
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-(aminosulfonimidoyl)-2-methylbutane
CID 154660444
2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
2-methylbutane-1-sulfonic acid;yttrium
CID 59092791
ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
CID 125455135
imino-[(2S)-3-methylbutan-2-yl]-oxo-propyl-λ6-sulfane
CID 125457060
methyl 2-methylbutane-1-sulfonate
CID 20609497
N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757585
(2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide
CID 97095663
(2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane
CID 130294591
3-(2-methylbutylsulfonyl)propanoic acid
CID 62105864
N-ethyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757587
4-(2-methylbutylsulfonyl)-N-propylbutan-1-amine
CID 107757626

Frequently Asked Questions

What is the IUPAC name of imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane?
The IUPAC name of imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane (CID 125455805) is imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane.
What is the SMILES notation for imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane?
The canonical SMILES for imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane is [H]N=[S@](=O)(CCC)C[C@@H](C)CC.
What is the InChIKey of imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane?
The InChIKey is HISBHRRJUXTSNE-KWQFWETISA-N. The full InChI is InChI=1S/C8H19NOS/c1-4-6-11(9,10)7-8(3)5-2/h8-9H,4-7H2,1-3H3/t8-,11-/m0/s1.
What are the key properties of imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane?
imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane has a molecular weight of 177.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane is sourced from PubChem (CID 125455805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).