4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine

C12H18N2OS — CID 115777746

IUPAC4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine
SMILESCCSCc1ccnc(NC2CCOC2)c1
InChIInChI=1S/C12H18N2OS/c1-2-16-9-10-3-5-13-12(7-10)14-11-4-6-15-8-11/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,13,14)
InChIKeyUGXFIRYYVLQUIH-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.54
Rot. Bonds5

About 4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine

4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine (PubChem CID 115777746) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine
PubChem CID115777746
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine
SMILESCCSCc1ccnc(NC2CCOC2)c1
InChIInChI=1S/C12H18N2OS/c1-2-16-9-10-3-5-13-12(7-10)14-11-4-6-15-8-11/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,13,14)
InChIKeyUGXFIRYYVLQUIH-UHFFFAOYSA-N
XLogP2.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine?
The IUPAC name of 4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine (CID 115777746) is 4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine is CCSCc1ccnc(NC2CCOC2)c1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine?
The InChIKey is UGXFIRYYVLQUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-16-9-10-3-5-13-12(7-10)14-11-4-6-15-8-11/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,13,14).
What are the key properties of 4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine?
4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine has a molecular weight of 238.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 115777746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).