3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine

C10H23NOS — CID 107759916

IUPAC3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine
SMILESCCC(C)CS(=O)CC(N)C(C)C
InChIInChI=1S/C10H23NOS/c1-5-9(4)6-13(12)7-10(11)8(2)3/h8-10H,5-7,11H2,1-4H3
InChIKeyLWGLMQUSOXAUGY-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.76
Rot. Bonds6

About 3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine

3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine (PubChem CID 107759916) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine
PubChem CID107759916
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine
SMILESCCC(C)CS(=O)CC(N)C(C)C
InChIInChI=1S/C10H23NOS/c1-5-9(4)6-13(12)7-10(11)8(2)3/h8-10H,5-7,11H2,1-4H3
InChIKeyLWGLMQUSOXAUGY-UHFFFAOYSA-N
XLogP1.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylbutane-1-sulfinamide
CID 139559461
3-(2-methylbutylsulfinyl)heptan-4-amine
CID 107759994
N-methyl-2-(2-methylbutylsulfinyl)ethanamine
CID 107759940
1-(3,4-dimethoxyphenyl)-2-(2-methylbutylsulfinyl)ethanamine
CID 107759876
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
2-acetamido-3-(2-methylbutylsulfinyl)propanoic acid
CID 107753296
3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol
CID 107760145
4-(2-methylbutylsulfinyl)butanoic acid
CID 107753321
1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol
CID 107766128
ethyl 5-(2-methylbutylsulfinyl)-4-oxopentanoate
CID 107767867
hexane-3,4-diamine
CID 12656175
3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine
CID 62692056

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine?
The IUPAC name of 3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine (CID 107759916) is 3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine is CCC(C)CS(=O)CC(N)C(C)C.
What is the InChIKey of 3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine?
The InChIKey is LWGLMQUSOXAUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-9(4)6-13(12)7-10(11)8(2)3/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine?
3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine is sourced from PubChem (CID 107759916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).