(R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide

C9H18N2OS — CID 10679631

IUPAC(R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC[C@@](C)(C#N)N[S@](=O)C(C)(C)C
InChIInChI=1S/C9H18N2OS/c1-6-9(5,7-10)11-13(12)8(2,3)4/h11H,6H2,1-5H3/t9-,13+/m0/s1
InChIKeyIWRXQWPIRRGWOB-TVQRCGJNSA-N
MW202.32 g/mol
LogP1.73
Rot. Bonds3

About (R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 10679631) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID10679631
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC[C@@](C)(C#N)N[S@](=O)C(C)(C)C
InChIInChI=1S/C9H18N2OS/c1-6-9(5,7-10)11-13(12)8(2,3)4/h11H,6H2,1-5H3/t9-,13+/m0/s1
InChIKeyIWRXQWPIRRGWOB-TVQRCGJNSA-N
XLogP1.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide (CID 10679631) is (R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide is CC[C@@](C)(C#N)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is IWRXQWPIRRGWOB-TVQRCGJNSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-6-9(5,7-10)11-13(12)8(2,3)4/h11H,6H2,1-5H3/t9-,13+/m0/s1.
What are the key properties of (R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 202.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2S)-2-cyanobutan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 10679631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).