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

C5H13NOS — CID 125456687

IUPAC[(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)[C@H](C)CC
InChIInChI=1S/C5H13NOS/c1-4-5(2)8(3,6)7/h5-6H,4H2,1-3H3/t5-,8+/m1/s1
InChIKeyQKJIMLRHVWURPM-XRGYYRRGSA-N
MW135.23 g/mol
LogP1.46
Rot. Bonds2

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

[(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane (PubChem CID 125456687) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is [(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane
PubChem CID125456687
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name[(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)[C@H](C)CC
InChIInChI=1S/C5H13NOS/c1-4-5(2)8(3,6)7/h5-6H,4H2,1-3H3/t5-,8+/m1/s1
InChIKeyQKJIMLRHVWURPM-XRGYYRRGSA-N
XLogP1.46
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 51.46
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
(2R)-butane-2-sulfonic acid
CID 46398806
butan-2-yl(triethyl)-λ4-sulfane
CID 154937143
CID 87069248
CID 87069248
imino-methyl-[(2R)-3-methylbutan-2-yl]-oxo-λ6-sulfane
CID 125456475
2-methylsulfonylpentan-3-amine
CID 62784392
bis(butan-2-ylsulfonyloxy)bismuthanyl butane-2-sulfonate
CID 139949440
4-butan-2-ylsulfonylheptane
CID 140508909
1-(aminosulfonimidoyl)-2-methylbutane
CID 154660444
ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
CID 125455135
1,1-bis(methylsulfonyl)propane
CID 19348890
sulfuric acid;triethyl(methyl)phosphanium
CID 174902291

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of [(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane (CID 125456687) is [(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for [(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for [(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane is [H]N=[S@@](C)(=O)[C@H](C)CC.
What is the InChIKey of [(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane?
The InChIKey is QKJIMLRHVWURPM-XRGYYRRGSA-N. The full InChI is InChI=1S/C5H13NOS/c1-4-5(2)8(3,6)7/h5-6H,4H2,1-3H3/t5-,8+/m1/s1.
What are the key properties of [(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane?
[(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane has a molecular weight of 135.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 125456687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).