4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

C12H14N2S2 — CID 71968208

IUPAC4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCSCc1ccnc(NCc2cccs2)c1
InChIInChI=1S/C12H14N2S2/c1-15-9-10-4-5-13-12(7-10)14-8-11-3-2-6-16-11/h2-7H,8-9H2,1H3,(H,13,14)
InChIKeyXCWUTPLXRHWCGN-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.62
Rot. Bonds5

About 4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 71968208) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID71968208
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCSCc1ccnc(NCc2cccs2)c1
InChIInChI=1S/C12H14N2S2/c1-15-9-10-4-5-13-12(7-10)14-8-11-3-2-6-16-11/h2-7H,8-9H2,1H3,(H,13,14)
InChIKeyXCWUTPLXRHWCGN-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine
CID 115908368
6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80943801
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
2-(methylsulfanylmethyl)thiophene
CID 12872111
5-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43173671
5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazol-2-amine
CID 130735490
6-N,2-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772969
6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80774344
2-methyl-N-[[2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 55056803
6-ethoxy-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 63590573
2-ethyl-6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933272
6-N-ethyl-2-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80955053

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 71968208) is 4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is CSCc1ccnc(NCc2cccs2)c1.
What is the InChIKey of 4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is XCWUTPLXRHWCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-15-9-10-4-5-13-12(7-10)14-8-11-3-2-6-16-11/h2-7H,8-9H2,1H3,(H,13,14).
What are the key properties of 4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 250.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 71968208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).