4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine

C12H18N2O3S2 — CID 47141640

IUPAC4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine
SMILESCC1c2ccsc2CCN1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H18N2O3S2/c1-10-11-3-9-18-12(11)2-4-14(10)19(15,16)13-5-7-17-8-6-13/h3,9-10H,2,4-8H2,1H3
InChIKeyIDCQLPJNLHCXFZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.24
Rot. Bonds2

About 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine

4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine (PubChem CID 47141640) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine
PubChem CID47141640
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine
SMILESCC1c2ccsc2CCN1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H18N2O3S2/c1-10-11-3-9-18-12(11)2-4-14(10)19(15,16)13-5-7-17-8-6-13/h3,9-10H,2,4-8H2,1H3
InChIKeyIDCQLPJNLHCXFZ-UHFFFAOYSA-N
XLogP1.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine?
The IUPAC name of 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine (CID 47141640) is 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine?
The canonical SMILES for 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine is CC1c2ccsc2CCN1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine?
The InChIKey is IDCQLPJNLHCXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-10-11-3-9-18-12(11)2-4-14(10)19(15,16)13-5-7-17-8-6-13/h3,9-10H,2,4-8H2,1H3.
What are the key properties of 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine?
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine has a molecular weight of 302.42 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine is sourced from PubChem (CID 47141640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).