3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine

C8H11ClN2OS — CID 115680988

IUPAC3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
SMILESCS(=O)CCNc1ccncc1Cl
InChIInChI=1S/C8H11ClN2OS/c1-13(12)5-4-11-8-2-3-10-6-7(8)9/h2-3,6H,4-5H2,1H3,(H,10,11)
InChIKeyQMTLHULAXXNAEX-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.53
Rot. Bonds4

About 3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine

3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine (PubChem CID 115680988) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
PubChem CID115680988
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
SMILESCS(=O)CCNc1ccncc1Cl
InChIInChI=1S/C8H11ClN2OS/c1-13(12)5-4-11-8-2-3-10-6-7(8)9/h2-3,6H,4-5H2,1H3,(H,10,11)
InChIKeyQMTLHULAXXNAEX-UHFFFAOYSA-N
XLogP1.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107
N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 79841594
methyl 6-[(3-chloro-4-pyridinyl)amino]hexanoate
CID 79840643
2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide
CID 79840144
N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155235
3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine
CID 79839685
3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695941
3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine
CID 79840811
3-chloro-N-hex-5-ynylpyridin-4-amine
CID 103757339

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine?
The IUPAC name of 3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine (CID 115680988) is 3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine is CS(=O)CCNc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine?
The InChIKey is QMTLHULAXXNAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-13(12)5-4-11-8-2-3-10-6-7(8)9/h2-3,6H,4-5H2,1H3,(H,10,11).
What are the key properties of 3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine?
3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine has a molecular weight of 218.71 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine is sourced from PubChem (CID 115680988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).