(S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide

C10H20N2OS — CID 53343030

IUPAC(S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[C@H](C#N)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C10H20N2OS/c1-9(2,3)8(7-11)12-14(13)10(4,5)6/h8,12H,1-6H3/t8-,14-/m0/s1
InChIKeyTZVVKQVAZDYBKA-RTHLEPHNSA-N
MW216.35 g/mol
LogP1.98
Rot. Bonds2

About (S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide (PubChem CID 53343030) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide
PubChem CID53343030
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[C@H](C#N)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C10H20N2OS/c1-9(2,3)8(7-11)12-14(13)10(4,5)6/h8,12H,1-6H3/t8-,14-/m0/s1
InChIKeyTZVVKQVAZDYBKA-RTHLEPHNSA-N
XLogP1.98
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide (CID 53343030) is (S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[C@H](C#N)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide?
The InChIKey is TZVVKQVAZDYBKA-RTHLEPHNSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-9(2,3)8(7-11)12-14(13)10(4,5)6/h8,12H,1-6H3/t8-,14-/m0/s1.
What are the key properties of (S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide has a molecular weight of 216.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-cyano-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 53343030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).