(R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide

C14H29NO2S — CID 135068976

IUPAC(R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H]1CCCC[C@@]1(O)C(C)(C)C
InChIInChI=1S/C14H29NO2S/c1-12(2,3)14(16)10-8-7-9-11(14)15-18(17)13(4,5)6/h11,15-16H,7-10H2,1-6H3/t11-,14-,18+/m0/s1
InChIKeyWXQAHQGAFCMMIU-KQYVJACZSA-N
MW275.46 g/mol
LogP2.76
Rot. Bonds2

About (R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide (PubChem CID 135068976) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is (R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide
PubChem CID135068976
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name(R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H]1CCCC[C@@]1(O)C(C)(C)C
InChIInChI=1S/C14H29NO2S/c1-12(2,3)14(16)10-8-7-9-11(14)15-18(17)13(4,5)6/h11,15-16H,7-10H2,1-6H3/t11-,14-,18+/m0/s1
InChIKeyWXQAHQGAFCMMIU-KQYVJACZSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide (CID 135068976) is (R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H]1CCCC[C@@]1(O)C(C)(C)C.
What is the InChIKey of (R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide?
The InChIKey is WXQAHQGAFCMMIU-KQYVJACZSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-12(2,3)14(16)10-8-7-9-11(14)15-18(17)13(4,5)6/h11,15-16H,7-10H2,1-6H3/t11-,14-,18+/m0/s1.
What are the key properties of (R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide has a molecular weight of 275.46 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135068976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).