(R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide

C11H22N2OS — CID 135006489

IUPAC(R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[C@@H](CC#N)N[S@](=O)C(C)(C)C
InChIInChI=1S/C11H22N2OS/c1-10(2,3)9(7-8-12)13-15(14)11(4,5)6/h9,13H,7H2,1-6H3/t9-,15-/m1/s1
InChIKeyMMTHFEHEEJAXOB-RFAUZJTJSA-N
MW230.38 g/mol
LogP2.37
Rot. Bonds3

About (R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 135006489) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID135006489
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[C@@H](CC#N)N[S@](=O)C(C)(C)C
InChIInChI=1S/C11H22N2OS/c1-10(2,3)9(7-8-12)13-15(14)11(4,5)6/h9,13H,7H2,1-6H3/t9-,15-/m1/s1
InChIKeyMMTHFEHEEJAXOB-RFAUZJTJSA-N
XLogP2.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N-[(1S)-1-cyano-4,4,4-trifluoro-3,3-dimethylbutyl]-2-methylpropane-2-sulfinamide
CID 157031595
N-[(1S)-1-cyano-4,4,4-trifluoro-3,3-dimethylbutyl]-2-methylpropane-2-sulfinamide
CID 167245879
tert-butyl-[[(1S)-1-cyano-2,4,4-trifluoro-3,3-dimethylbutyl]amino]-oxidosulfanium
CID 175397420
N-[(1S)-1-cyano-5,5,5-trifluoro-4,4-dimethylpentyl]-2-methylpropane-2-sulfinamide
CID 178160482
2-Methylpropane-2-sulfinic acid (2-cyano-1-cyclopropyl-2,2-dimethyl-ethyl)-amide
CID 67008948
(S)-2-methyl-propane-2-sulfinic acid [(R)-1-(1-cyano-cyclopentyl)-ethyl]-amide
CID 71288952
N-[1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide
CID 78050772
N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide
CID 86659434
(R)-2-methyl-propane-2-sulfinic acid ((S)-2-cyano-1,2,2-trimethyl-ethyl)-amide
CID 86659447
(R)-2-Methyl-propane-2-sulfinic acid (2-cyano-1,2,2-trimethyl-ethyl)-amide
CID 86659449
N-[(2R)-3-cyano-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 87235084
N-(1-cyanobutyl)-2-methylpropane-2-sulfinamide
CID 118551716

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide (CID 135006489) is (R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[C@@H](CC#N)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is MMTHFEHEEJAXOB-RFAUZJTJSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-10(2,3)9(7-8-12)13-15(14)11(4,5)6/h9,13H,7H2,1-6H3/t9-,15-/m1/s1.
What are the key properties of (R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 230.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2R)-1-cyano-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135006489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).