(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone

C15H22N2OS2 — CID 138013994

IUPAC(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone
SMILESCC1CCN(C(=O)c2cc3c(s2)CN(C)CC3)CCS1
InChIInChI=1S/C15H22N2OS2/c1-11-3-6-17(7-8-19-11)15(18)13-9-12-4-5-16(2)10-14(12)20-13/h9,11H,3-8,10H2,1-2H3
InChIKeyBFVDOSXFDPWMAH-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.70
Rot. Bonds1

About (6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone

(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone (PubChem CID 138013994) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is (6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone.

Molecular Properties

Compound Name(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone
PubChem CID138013994
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC Name(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone
SMILESCC1CCN(C(=O)c2cc3c(s2)CN(C)CC3)CCS1
InChIInChI=1S/C15H22N2OS2/c1-11-3-6-17(7-8-19-11)15(18)13-9-12-4-5-16(2)10-14(12)20-13/h9,11H,3-8,10H2,1-2H3
InChIKeyBFVDOSXFDPWMAH-UHFFFAOYSA-N
XLogP2.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone
CID 166227098
(4-methylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 17250068
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 86877317
[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 92609107
(4-aminopiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43556243
(4-aminopiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 119376648
3,4-dihydro-1H-isoquinolin-2-yl-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone
CID 25480271
[(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 27233203
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
methyl (2S)-4-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]thiomorpholine-2-carboxylate
CID 9272445
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 2315040
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 119409932

Frequently Asked Questions

What is the IUPAC name of (6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone?
The IUPAC name of (6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone (CID 138013994) is (6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone.
What is the SMILES notation for (6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone?
The canonical SMILES for (6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone is CC1CCN(C(=O)c2cc3c(s2)CN(C)CC3)CCS1.
What is the InChIKey of (6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone?
The InChIKey is BFVDOSXFDPWMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-11-3-6-17(7-8-19-11)15(18)13-9-12-4-5-16(2)10-14(12)20-13/h9,11H,3-8,10H2,1-2H3.
What are the key properties of (6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone?
(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone has a molecular weight of 310.49 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone is sourced from PubChem (CID 138013994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).