N-methyl-2-(2-methylbutylsulfinyl)ethanamine

C8H19NOS — CID 107759940

IUPACN-methyl-2-(2-methylbutylsulfinyl)ethanamine
SMILESCCC(C)CS(=O)CCNC
InChIInChI=1S/C8H19NOS/c1-4-8(2)7-11(10)6-5-9-3/h8-9H,4-7H2,1-3H3
InChIKeyOLKAEPVJNYOUCZ-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.00
Rot. Bonds6

About N-methyl-2-(2-methylbutylsulfinyl)ethanamine

N-methyl-2-(2-methylbutylsulfinyl)ethanamine (PubChem CID 107759940) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is N-methyl-2-(2-methylbutylsulfinyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylbutylsulfinyl)ethanamine
PubChem CID107759940
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC NameN-methyl-2-(2-methylbutylsulfinyl)ethanamine
SMILESCCC(C)CS(=O)CCNC
InChIInChI=1S/C8H19NOS/c1-4-8(2)7-11(10)6-5-9-3/h8-9H,4-7H2,1-3H3
InChIKeyOLKAEPVJNYOUCZ-UHFFFAOYSA-N
XLogP1.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylbutylsulfinyl)butanoic acid
CID 107753321
N-methyl-2-pentylsulfinylethanamine
CID 107758823
3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine
CID 107759916
N-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine
CID 107759880
2-methylbutane-1-sulfinamide
CID 139559461
N,3-dimethylpentan-1-amine;ethane
CID 142089517
3-butan-2-ylsulfinyl-N-methylpropan-1-amine
CID 64652102
N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine
CID 64652249
3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol
CID 107760145
2-acetamido-3-(2-methylbutylsulfinyl)propanoic acid
CID 107753296
2-methyl-4-(methylamino)butane-1-sulfinate
CID 122485218
1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine
CID 106735786

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylbutylsulfinyl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylbutylsulfinyl)ethanamine (CID 107759940) is N-methyl-2-(2-methylbutylsulfinyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylbutylsulfinyl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylbutylsulfinyl)ethanamine is CCC(C)CS(=O)CCNC.
What is the InChIKey of N-methyl-2-(2-methylbutylsulfinyl)ethanamine?
The InChIKey is OLKAEPVJNYOUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-4-8(2)7-11(10)6-5-9-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylbutylsulfinyl)ethanamine?
N-methyl-2-(2-methylbutylsulfinyl)ethanamine has a molecular weight of 177.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylbutylsulfinyl)ethanamine is sourced from PubChem (CID 107759940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).