2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine

C11H25NOS — CID 115894594

IUPAC2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine
SMILESCCC(NCCC(C)S(C)=O)C(C)C
InChIInChI=1S/C11H25NOS/c1-6-11(9(2)3)12-8-7-10(4)14(5)13/h9-12H,6-8H2,1-5H3
InChIKeyOJYAOQIRNILGSD-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.17
Rot. Bonds7

About 2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine

2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine (PubChem CID 115894594) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine
PubChem CID115894594
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine
SMILESCCC(NCCC(C)S(C)=O)C(C)C
InChIInChI=1S/C11H25NOS/c1-6-11(9(2)3)12-8-7-10(4)14(5)13/h9-12H,6-8H2,1-5H3
InChIKeyOJYAOQIRNILGSD-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-methylsulfonylethyl)pentan-1-amine
CID 20811846
4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 21355442
(3S)-3-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide
CID 57733947
(2S)-4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 59084806
N-(2-ethylsulfinylethyl)-3-methylbutan-1-amine
CID 59761977
3-methyl-N-(2-methylsulfinylethyl)butan-1-amine
CID 59762235
N-[(1,1-dioxothian-3-yl)methyl]propan-2-amine
CID 65910022
1-tert-butylsulfinyl-2-methyl-N-propan-2-ylpentan-2-amine
CID 89172172
3-(2-Methylpropyl)-1,4-thiazinane 1,1-dioxide
CID 105445576
3-methyl-N-(3-methylsulfinylpropyl)butan-2-amine
CID 115720924
2-(2-Methylpropyl)-1,4-thiazinane 1-oxide
CID 129066819
N,4-dimethyl-3-methylsulfanylpentan-2-amine
CID 130217271

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine?
The IUPAC name of 2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine (CID 115894594) is 2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine.
What is the SMILES notation for 2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine?
The canonical SMILES for 2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine is CCC(NCCC(C)S(C)=O)C(C)C.
What is the InChIKey of 2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine?
The InChIKey is OJYAOQIRNILGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-6-11(9(2)3)12-8-7-10(4)14(5)13/h9-12H,6-8H2,1-5H3.
What are the key properties of 2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine?
2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine has a molecular weight of 219.39 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine is sourced from PubChem (CID 115894594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).