(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide

C12H22N2O3S2 — CID 158218703

IUPAC(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide
SMILESCC1CCC(C#N)(N[S@@](=O)C(C)(C)C)CC1.O=S=O
InChIInChI=1S/C12H22N2OS.O2S/c1-10-5-7-12(9-13,8-6-10)14-16(15)11(2,3)4;1-3-2/h10,14H,5-8H2,1-4H3;/t10?,12?,16-;/m0./s1
InChIKeyGCZCMVUWADFUKX-VRJDZXFQSA-N
MW306.45 g/mol
LogP1.84
Rot. Bonds2

About (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide

(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide (PubChem CID 158218703) has the molecular formula C12H22N2O3S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide.

Molecular Properties

Compound Name(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide
PubChem CID158218703
Molecular FormulaC12H22N2O3S2
Molecular Weight306.45 g/mol
Exact Mass306.11
IUPAC Name(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide
SMILESCC1CCC(C#N)(N[S@@](=O)C(C)(C)C)CC1.O=S=O
InChIInChI=1S/C12H22N2OS.O2S/c1-10-5-7-12(9-13,8-6-10)14-16(15)11(2,3)4;1-3-2/h10,14H,5-8H2,1-4H3;/t10?,12?,16-;/m0./s1
InChIKeyGCZCMVUWADFUKX-VRJDZXFQSA-N
XLogP1.84
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-Cyano-3-methylcyclohexyl)ethanesulfonamide
CID 86799164
N-(1-cyano-4-methylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059551
(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide
CID 153296109
(S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide
CID 161006568
N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide
CID 54947838
N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide
CID 54947839
N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide
CID 54947888
N-(1-cyano-4-methylcyclohexyl)-2-methoxyethanesulfonamide
CID 55014535
N-(1-cyano-4-methylcyclohexyl)ethanesulfonamide
CID 55138338
N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide
CID 55138339
N-(1-cyano-4-methylcyclohexyl)-2-methylsulfonylethanesulfonamide
CID 55173887
N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfonamide
CID 55233411

Frequently Asked Questions

What is the IUPAC name of (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide?
The IUPAC name of (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide (CID 158218703) is (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide.
What is the SMILES notation for (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide?
The canonical SMILES for (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide is CC1CCC(C#N)(N[S@@](=O)C(C)(C)C)CC1.O=S=O.
What is the InChIKey of (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide?
The InChIKey is GCZCMVUWADFUKX-VRJDZXFQSA-N. The full InChI is InChI=1S/C12H22N2OS.O2S/c1-10-5-7-12(9-13,8-6-10)14-16(15)11(2,3)4;1-3-2/h10,14H,5-8H2,1-4H3;/t10?,12?,16-;/m0./s1.
What are the key properties of (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide?
(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide has a molecular weight of 306.45 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide is sourced from PubChem (CID 158218703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).