N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide

C13H18N2O2S — CID 75435120

IUPACN-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide
SMILESCCSCc1ccnc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C13H18N2O2S/c1-2-18-9-10-5-6-14-12(8-10)15-13(16)11-4-3-7-17-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15,16)
InChIKeyJHCBWGJWJMHMME-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.45
Rot. Bonds5

About N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide

N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 75435120) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide
PubChem CID75435120
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide
SMILESCCSCc1ccnc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C13H18N2O2S/c1-2-18-9-10-5-6-14-12(8-10)15-13(16)11-4-3-7-17-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15,16)
InChIKeyJHCBWGJWJMHMME-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide (CID 75435120) is N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide is CCSCc1ccnc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is JHCBWGJWJMHMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-18-9-10-5-6-14-12(8-10)15-13(16)11-4-3-7-17-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15,16).
What are the key properties of N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide?
N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 75435120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).