5-(butan-2-ylsulfanylmethyl)pyridin-2-amine

C10H16N2S — CID 62187525

IUPAC5-(butan-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCCC(C)SCc1ccc(N)nc1
InChIInChI=1S/C10H16N2S/c1-3-8(2)13-7-9-4-5-10(11)12-6-9/h4-6,8H,3,7H2,1-2H3,(H2,11,12)
InChIKeyZAPKIOOMOPLFNV-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.70
Rot. Bonds4

About 5-(butan-2-ylsulfanylmethyl)pyridin-2-amine

5-(butan-2-ylsulfanylmethyl)pyridin-2-amine (PubChem CID 62187525) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 5-(butan-2-ylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(butan-2-ylsulfanylmethyl)pyridin-2-amine
PubChem CID62187525
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name5-(butan-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCCC(C)SCc1ccc(N)nc1
InChIInChI=1S/C10H16N2S/c1-3-8(2)13-7-9-4-5-10(11)12-6-9/h4-6,8H,3,7H2,1-2H3,(H2,11,12)
InChIKeyZAPKIOOMOPLFNV-UHFFFAOYSA-N
XLogP2.70
TPSA38.91 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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 5-(butan-2-ylsulfanylmethyl)pyridin-2-amine (CID 62187525) is 5-(butan-2-ylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(butan-2-ylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(butan-2-ylsulfanylmethyl)pyridin-2-amine is CCC(C)SCc1ccc(N)nc1.
What is the InChIKey of 5-(butan-2-ylsulfanylmethyl)pyridin-2-amine?
The InChIKey is ZAPKIOOMOPLFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-8(2)13-7-9-4-5-10(11)12-6-9/h4-6,8H,3,7H2,1-2H3,(H2,11,12).
What are the key properties of 5-(butan-2-ylsulfanylmethyl)pyridin-2-amine?
5-(butan-2-ylsulfanylmethyl)pyridin-2-amine has a molecular weight of 196.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 62187525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).