2-methylhexane-2-sulfinamide

C7H17NOS — CID 123826931

IUPAC2-methylhexane-2-sulfinamide
SMILESCCCCC(C)(C)S(N)=O
InChIInChI=1S/C7H17NOS/c1-4-5-6-7(2,3)10(8)9/h4-6,8H2,1-3H3
InChIKeyATSGPKVFRXJBOK-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.58
Rot. Bonds4

About 2-methylhexane-2-sulfinamide

2-methylhexane-2-sulfinamide (PubChem CID 123826931) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-methylhexane-2-sulfinamide.

Molecular Properties

Compound Name2-methylhexane-2-sulfinamide
PubChem CID123826931
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-methylhexane-2-sulfinamide
SMILESCCCCC(C)(C)S(N)=O
InChIInChI=1S/C7H17NOS/c1-4-5-6-7(2,3)10(8)9/h4-6,8H2,1-3H3
InChIKeyATSGPKVFRXJBOK-UHFFFAOYSA-N
XLogP1.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-methylsulfinylhexane
CID 89314102
2-methyl-2-octylsulfinylundecane
CID 139841324
2,2-dimethylhexane
CID 169424592
2-butyl-2-methylhexanoic acid
CID 15930803
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
3-methyl-3-[3-methylheptan-3-yl(sulfino)amino]heptane
CID 91184478
(2R)-2-amino-2-methylhexanal
CID 144823365
azane;2,2-dimethylhexane
CID 161105081
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid
CID 173344121
4-butylsulfinyl-2,2-dimethylbutan-1-amine
CID 81329579
bis(5-butylnonan-5-yl)silane
CID 173414247
2-tert-butyl-2-methylhexanamide
CID 175947607

Frequently Asked Questions

What is the IUPAC name of 2-methylhexane-2-sulfinamide?
The IUPAC name of 2-methylhexane-2-sulfinamide (CID 123826931) is 2-methylhexane-2-sulfinamide.
What is the SMILES notation for 2-methylhexane-2-sulfinamide?
The canonical SMILES for 2-methylhexane-2-sulfinamide is CCCCC(C)(C)S(N)=O.
What is the InChIKey of 2-methylhexane-2-sulfinamide?
The InChIKey is ATSGPKVFRXJBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-4-5-6-7(2,3)10(8)9/h4-6,8H2,1-3H3.
What are the key properties of 2-methylhexane-2-sulfinamide?
2-methylhexane-2-sulfinamide has a molecular weight of 163.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexane-2-sulfinamide is sourced from PubChem (CID 123826931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).