imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane

C6H15NOS — CID 134335189

IUPACimino-methyl-(3-methylbutyl)-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CCC(C)C
InChIInChI=1S/C6H15NOS/c1-6(2)4-5-9(3,7)8/h6-7H,4-5H2,1-3H3
InChIKeyATUUNGHCHRKUTJ-UHFFFAOYSA-N
MW149.26 g/mol
LogP1.71
Rot. Bonds3

About imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane

imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane (PubChem CID 134335189) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-(3-methylbutyl)-oxo-λ6-sulfane
PubChem CID134335189
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Nameimino-methyl-(3-methylbutyl)-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CCC(C)C
InChIInChI=1S/C6H15NOS/c1-6(2)4-5-9(3,7)8/h6-7H,4-5H2,1-3H3
InChIKeyATUUNGHCHRKUTJ-UHFFFAOYSA-N
XLogP1.71
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane (CID 134335189) is imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane is [H]N=S(C)(=O)CCC(C)C.
What is the InChIKey of imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane?
The InChIKey is ATUUNGHCHRKUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-6(2)4-5-9(3,7)8/h6-7H,4-5H2,1-3H3.
What are the key properties of imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane?
imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane has a molecular weight of 149.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-(3-methylbutyl)-oxo-λ6-sulfane is sourced from PubChem (CID 134335189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).