4-(3-methylbutylsulfanyl)pyridin-3-amine

C10H16N2S — CID 43300026

IUPAC4-(3-methylbutylsulfanyl)pyridin-3-amine
SMILESCC(C)CCSc1ccncc1N
InChIInChI=1S/C10H16N2S/c1-8(2)4-6-13-10-3-5-12-7-9(10)11/h3,5,7-8H,4,6,11H2,1-2H3
InChIKeyOQQRFCZUMYUZHN-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.80
Rot. Bonds4

About 4-(3-methylbutylsulfanyl)pyridin-3-amine

4-(3-methylbutylsulfanyl)pyridin-3-amine (PubChem CID 43300026) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-(3-methylbutylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(3-methylbutylsulfanyl)pyridin-3-amine
PubChem CID43300026
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-(3-methylbutylsulfanyl)pyridin-3-amine
SMILESCC(C)CCSc1ccncc1N
InChIInChI=1S/C10H16N2S/c1-8(2)4-6-13-10-3-5-12-7-9(10)11/h3,5,7-8H,4,6,11H2,1-2H3
InChIKeyOQQRFCZUMYUZHN-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-methylbutylsulfanyl)isoquinolin-5-amine
CID 107748090
4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
CID 60917186
4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine
CID 60893029
4-pent-3-ynylsulfanylpyridin-3-amine
CID 104808050
4-(2-propoxyethylsulfanyl)pyridin-3-amine
CID 106453318
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
CID 43300028
4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299979
4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299772
4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
CID 64771834
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300079

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylsulfanyl)pyridin-3-amine?
The IUPAC name of 4-(3-methylbutylsulfanyl)pyridin-3-amine (CID 43300026) is 4-(3-methylbutylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 4-(3-methylbutylsulfanyl)pyridin-3-amine?
The canonical SMILES for 4-(3-methylbutylsulfanyl)pyridin-3-amine is CC(C)CCSc1ccncc1N.
What is the InChIKey of 4-(3-methylbutylsulfanyl)pyridin-3-amine?
The InChIKey is OQQRFCZUMYUZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8(2)4-6-13-10-3-5-12-7-9(10)11/h3,5,7-8H,4,6,11H2,1-2H3.
What are the key properties of 4-(3-methylbutylsulfanyl)pyridin-3-amine?
4-(3-methylbutylsulfanyl)pyridin-3-amine has a molecular weight of 196.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 43300026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).