carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide

C11H23NO3S — CID 157064590

IUPACcarbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide
SMILESCCC(C)(CC)NS(=O)C(C)(C)C.O=C=O
InChIInChI=1S/C10H23NOS.CO2/c1-7-10(6,8-2)11-13(12)9(3,4)5;2-1-3/h11H,7-8H2,1-6H3;
InChIKeyABSNGLXFKHPCQY-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.03
Rot. Bonds4

About carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide

carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide (PubChem CID 157064590) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide.

Molecular Properties

Compound Namecarbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide
PubChem CID157064590
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Namecarbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide
SMILESCCC(C)(CC)NS(=O)C(C)(C)C.O=C=O
InChIInChI=1S/C10H23NOS.CO2/c1-7-10(6,8-2)11-13(12)9(3,4)5;2-1-3/h11H,7-8H2,1-6H3;
InChIKeyABSNGLXFKHPCQY-UHFFFAOYSA-N
XLogP2.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 125475744
(S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 90089955
methyl (3S,5S)-3-(tert-butylsulfinylamino)-3,5-dimethylheptanoate
CID 87760260
N-[(3S)-2,3-dimethyloct-4-yn-3-yl]-2-methylpropane-2-sulfinamide
CID 101415067
(S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide
CID 139193295
N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide
CID 134975752
(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
N-[(2S)-2-cyano-1,1,1-trifluoropropan-2-yl]-2-methylpropane-2-sulfinamide
CID 102178622
2-(tert-butylsulfinylamino)-2-phenylbutanoic acid
CID 118565605
(S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide
CID 135006567
2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
CID 101468580
(S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide
CID 135006095

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide?
The IUPAC name of carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide (CID 157064590) is carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide.
What is the SMILES notation for carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide?
The canonical SMILES for carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide is CCC(C)(CC)NS(=O)C(C)(C)C.O=C=O.
What is the InChIKey of carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide?
The InChIKey is ABSNGLXFKHPCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS.CO2/c1-7-10(6,8-2)11-13(12)9(3,4)5;2-1-3/h11H,7-8H2,1-6H3;.
What are the key properties of carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide?
carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide has a molecular weight of 249.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide is sourced from PubChem (CID 157064590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).