(R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide

C13H29NO2S — CID 50999219

IUPAC(R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC[C@@H](O)C[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-8-10(15)9-11(12(2,3)4)14-17(16)13(5,6)7/h10-11,14-15H,8-9H2,1-7H3/t10-,11-,17-/m1/s1
InChIKeyGBJFYHDOLJQXNN-CZIZLABSSA-N
MW263.45 g/mol
LogP2.61
Rot. Bonds5

About (R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 50999219) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is (R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID50999219
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Name(R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC[C@@H](O)C[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-8-10(15)9-11(12(2,3)4)14-17(16)13(5,6)7/h10-11,14-15H,8-9H2,1-7H3/t10-,11-,17-/m1/s1
InChIKeyGBJFYHDOLJQXNN-CZIZLABSSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(2R,1'S,3'R)-N-(1-tert-Butyl-3-hydroxypentyl)-2-methylpropane-2-sulfinamide
CID 50999218
(R)-N-[(3R,5R)-5-hydroxyheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 93982117
(R)-N-[(3S,5R)-5-hydroxyheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 93982129
(R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide
CID 135061892
5-Amino-2,2,6,6-tetramethylheptan-3-ol
CID 18738413
(R)-N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide
CID 164578329
N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide
CID 164942037
tert-butyl-[[(1R)-1-[1-(hydroxymethyl)cyclopentyl]propyl]amino]-oxidosulfanium
CID 175266553
(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol
CID 15260996
N-[(3S,5R)-5-hydroxy-2-methylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487463
N-[(3S,5S)-5-hydroxy-2,6-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487464
N-[(3S,5S)-5-hydroxy-2,6,6-trimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487465

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide (CID 50999219) is (R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide is CC[C@@H](O)C[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is GBJFYHDOLJQXNN-CZIZLABSSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-8-10(15)9-11(12(2,3)4)14-17(16)13(5,6)7/h10-11,14-15H,8-9H2,1-7H3/t10-,11-,17-/m1/s1.
What are the key properties of (R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 263.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 50999219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).