2-methylbutane-1-sulfinamide

C5H13NOS — CID 139559461

IUPAC2-methylbutane-1-sulfinamide
SMILESCCC(C)CS(N)=O
InChIInChI=1S/C5H13NOS/c1-3-5(2)4-8(6)7/h5H,3-4,6H2,1-2H3
InChIKeyVYXRAJPHDYPRGA-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.65
Rot. Bonds3

About 2-methylbutane-1-sulfinamide

2-methylbutane-1-sulfinamide (PubChem CID 139559461) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is 2-methylbutane-1-sulfinamide.

Molecular Properties

Compound Name2-methylbutane-1-sulfinamide
PubChem CID139559461
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name2-methylbutane-1-sulfinamide
SMILESCCC(C)CS(N)=O
InChIInChI=1S/C5H13NOS/c1-3-5(2)4-8(6)7/h5H,3-4,6H2,1-2H3
InChIKeyVYXRAJPHDYPRGA-UHFFFAOYSA-N
XLogP0.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methylbutylsulfinyl)heptan-4-amine
CID 107759994
3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine
CID 107759916
N-methyl-2-(2-methylbutylsulfinyl)ethanamine
CID 107759940
ethanesulfinamide;hydrochloride
CID 155487048
bis(2-methylbutyl) sulfite
CID 87261553
2-methylbutyl-oxido-sulfanylidene-λ4-sulfane
CID 89374363
(2R)-1-ethylsulfinylpropan-2-amine
CID 88956944
2-methyl-3-pentan-3-ylsulfinylpropan-1-amine
CID 81201946
methane;3-methylpentane
CID 157218592
3-methylpentane;hydrate
CID 144914279
ethane;3-methylpentane
CID 91147782
methane;3-methylpentane
CID 153359275

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane-1-sulfinamide?
The IUPAC name of 2-methylbutane-1-sulfinamide (CID 139559461) is 2-methylbutane-1-sulfinamide.
What is the SMILES notation for 2-methylbutane-1-sulfinamide?
The canonical SMILES for 2-methylbutane-1-sulfinamide is CCC(C)CS(N)=O.
What is the InChIKey of 2-methylbutane-1-sulfinamide?
The InChIKey is VYXRAJPHDYPRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-3-5(2)4-8(6)7/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-methylbutane-1-sulfinamide?
2-methylbutane-1-sulfinamide has a molecular weight of 135.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane-1-sulfinamide is sourced from PubChem (CID 139559461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).