(4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C12H18N2OS — CID 6929674

IUPAC(4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC(C)NC(=O)N1CCc2sccc2[C@@H]1C
InChIInChI=1S/C12H18N2OS/c1-8(2)13-12(15)14-6-4-11-10(9(14)3)5-7-16-11/h5,7-9H,4,6H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyXPOMGKHWPJNPLH-VIFPVBQESA-N
MW238.36 g/mol
LogP2.79
Rot. Bonds1

About (4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

(4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 6929674) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID6929674
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC(C)NC(=O)N1CCc2sccc2[C@@H]1C
InChIInChI=1S/C12H18N2OS/c1-8(2)13-12(15)14-6-4-11-10(9(14)3)5-7-16-11/h5,7-9H,4,6H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyXPOMGKHWPJNPLH-VIFPVBQESA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of (4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 6929674) is (4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for (4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for (4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC(C)NC(=O)N1CCc2sccc2[C@@H]1C.
What is the InChIKey of (4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is XPOMGKHWPJNPLH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(2)13-12(15)14-6-4-11-10(9(14)3)5-7-16-11/h5,7-9H,4,6H2,1-3H3,(H,13,15)/t9-/m0/s1.
What are the key properties of (4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
(4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 6929674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).