4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine

C12H20N2OS — CID 115922633

IUPAC4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
SMILESCCSCc1ccnc(NC(C)COC)c1
InChIInChI=1S/C12H20N2OS/c1-4-16-9-11-5-6-13-12(7-11)14-10(2)8-15-3/h5-7,10H,4,8-9H2,1-3H3,(H,13,14)
InChIKeyHPLAWCTVALXFNA-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.78
Rot. Bonds7

About 4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine

4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine (PubChem CID 115922633) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
PubChem CID115922633
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
SMILESCCSCc1ccnc(NC(C)COC)c1
InChIInChI=1S/C12H20N2OS/c1-4-16-9-11-5-6-13-12(7-11)14-10(2)8-15-3/h5-7,10H,4,8-9H2,1-3H3,(H,13,14)
InChIKeyHPLAWCTVALXFNA-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylsulfanylmethyl)-N-methylpyridin-2-amine
CID 62466942
4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 86610350
2-[[2-(propan-2-ylamino)-4-pyridinyl]methylsulfanyl]ethanol
CID 115923121
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine
CID 58808796
N-(4-methoxybutan-2-yl)-4-methylpyridin-2-amine
CID 64604062
6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 115416424
N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 61242089
6-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80932214
4-(3-ethoxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 123654314
4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine
CID 115777746
2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol
CID 66103427

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine?
The IUPAC name of 4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine (CID 115922633) is 4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine is CCSCc1ccnc(NC(C)COC)c1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine?
The InChIKey is HPLAWCTVALXFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-16-9-11-5-6-13-12(7-11)14-10(2)8-15-3/h5-7,10H,4,8-9H2,1-3H3,(H,13,14).
What are the key properties of 4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine?
4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 115922633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).