N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide

C13H29NOS — CID 134975752

IUPACN-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide
SMILESCCCCC(C)(NS(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C13H29NOS/c1-8-9-10-13(7,11(2)3)14-16(15)12(4,5)6/h11,14H,8-10H2,1-7H3
InChIKeyDQYHRAKNXYFANA-UHFFFAOYSA-N
MW247.45 g/mol
LogP3.64
Rot. Bonds6

About N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide

N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide (PubChem CID 134975752) has the molecular formula C13H29NOS and a molecular weight of 247.45 g/mol. Its IUPAC name is N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide
PubChem CID134975752
Molecular FormulaC13H29NOS
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC NameN-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide
SMILESCCCCC(C)(NS(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C13H29NOS/c1-8-9-10-13(7,11(2)3)14-16(15)12(4,5)6/h11,14H,8-10H2,1-7H3
InChIKeyDQYHRAKNXYFANA-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(tert-butylsulfinylamino)-3,4-dimethylpentanoic acid
CID 53487571
N-[(2R)-hexan-2-yl]-2-methylpropane-2-sulfinamide
CID 101035801
N-[(3S)-2,3-dimethyloct-4-yn-3-yl]-2-methylpropane-2-sulfinamide
CID 101415067
(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide
CID 135057244
2,3,3-trimethylheptane diisocyanate
CID 21266708
(S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide
CID 139193295
(S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide
CID 135006567
2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
CID 101468580
carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide
CID 157064590
2-methyl-2-methylsulfinylhexane
CID 89314102
ethane;2,3,3-trimethyloctane
CID 142049944

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide (CID 134975752) is N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide is CCCCC(C)(NS(=O)C(C)(C)C)C(C)C.
What is the InChIKey of N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is DQYHRAKNXYFANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NOS/c1-8-9-10-13(7,11(2)3)14-16(15)12(4,5)6/h11,14H,8-10H2,1-7H3.
What are the key properties of N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide?
N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 247.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134975752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).