5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine

C11H17ClN2S — CID 107756582

IUPAC5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine
SMILESCCC(C)CSCc1nc(N)ccc1Cl
InChIInChI=1S/C11H17ClN2S/c1-3-8(2)6-15-7-10-9(12)4-5-11(13)14-10/h4-5,8H,3,6-7H2,1-2H3,(H2,13,14)
InChIKeyRAWXPLLGSVHUTK-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.60
Rot. Bonds5

About 5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine

5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine (PubChem CID 107756582) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine
PubChem CID107756582
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine
SMILESCCC(C)CSCc1nc(N)ccc1Cl
InChIInChI=1S/C11H17ClN2S/c1-3-8(2)6-15-7-10-9(12)4-5-11(13)14-10/h4-5,8H,3,6-7H2,1-2H3,(H2,13,14)
InChIKeyRAWXPLLGSVHUTK-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine
CID 79480696
5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine
CID 62890774
[5-chloro-6-(2-methylpropylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 62885804
6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine
CID 107756585
2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide
CID 114234568
6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine
CID 62892716
5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine
CID 55127544
2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554407
1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66223577
5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine
CID 62893036
5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
CID 55127747
5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine
CID 62885987

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine (CID 107756582) is 5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine is CCC(C)CSCc1nc(N)ccc1Cl.
What is the InChIKey of 5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine?
The InChIKey is RAWXPLLGSVHUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-3-8(2)6-15-7-10-9(12)4-5-11(13)14-10/h4-5,8H,3,6-7H2,1-2H3,(H2,13,14).
What are the key properties of 5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine?
5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine has a molecular weight of 244.79 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 107756582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).