2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine

C10H16N2S — CID 21196944

IUPAC2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine
SMILESCCC(C)(C)NSc1ccccn1
InChIInChI=1S/C10H16N2S/c1-4-10(2,3)12-13-9-7-5-6-8-11-9/h5-8,12H,4H2,1-3H3
InChIKeyBXQODMKZUHELRS-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.87
Rot. Bonds4

About 2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine

2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine (PubChem CID 21196944) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine
PubChem CID21196944
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine
SMILESCCC(C)(C)NSc1ccccn1
InChIInChI=1S/C10H16N2S/c1-4-10(2,3)12-13-9-7-5-6-8-11-9/h5-8,12H,4H2,1-3H3
InChIKeyBXQODMKZUHELRS-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylbutan-2-yldisulfanyl)pyridine
CID 88916521
2-(2,2-dimethylpropylsulfanyl)pyridine
CID 20674343
(2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile
CID 125486794
ethane;2-(3,5,5-trimethylheptan-3-yldisulfanyl)pyridine
CID 170620086
N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
2-ethyl-2-pyridin-2-ylsulfanylbutanoic acid
CID 114987627
N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329310
N-ethyl-2-pyridin-2-ylsulfanylethanamine
CID 53211548
N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882665
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine
CID 12657317

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine?
The IUPAC name of 2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine (CID 21196944) is 2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine.
What is the SMILES notation for 2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine?
The canonical SMILES for 2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine is CCC(C)(C)NSc1ccccn1.
What is the InChIKey of 2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine?
The InChIKey is BXQODMKZUHELRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-4-10(2,3)12-13-9-7-5-6-8-11-9/h5-8,12H,4H2,1-3H3.
What are the key properties of 2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine?
2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine has a molecular weight of 196.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine is sourced from PubChem (CID 21196944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).