1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride

C16H24ClN3O2S2 — CID 119937606

IUPAC1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(C(=O)CC3CSCCN3)CC2)s1.Cl
InChIInChI=1S/C16H23N3O2S2.ClH/c1-12-2-3-14(23-12)16(21)19-7-5-18(6-8-19)15(20)10-13-11-22-9-4-17-13;/h2-3,13,17H,4-11H2,1H3;1H
InChIKeyPDHVZJCAGDATKG-UHFFFAOYSA-N
MW389.97 g/mol
LogP1.86
Rot. Bonds3

About 1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride

1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride (PubChem CID 119937606) has the molecular formula C16H24ClN3O2S2 and a molecular weight of 389.97 g/mol. Its IUPAC name is 1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
PubChem CID119937606
Molecular FormulaC16H24ClN3O2S2
Molecular Weight389.97 g/mol
Exact Mass389.10
IUPAC Name1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(C(=O)CC3CSCCN3)CC2)s1.Cl
InChIInChI=1S/C16H23N3O2S2.ClH/c1-12-2-3-14(23-12)16(21)19-7-5-18(6-8-19)15(20)10-13-11-22-9-4-17-13;/h2-3,13,17H,4-11H2,1H3;1H
InChIKeyPDHVZJCAGDATKG-UHFFFAOYSA-N
XLogP1.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119938169
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
1-[4-(thieno[3,2-b]thiophene-5-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119940589
1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937036
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937115
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936677
2-thiomorpholin-3-yl-1-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 119937336
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119940676
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941928

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride?
The IUPAC name of 1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride (CID 119937606) is 1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride.
What is the SMILES notation for 1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride?
The canonical SMILES for 1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride is Cc1ccc(C(=O)N2CCN(C(=O)CC3CSCCN3)CC2)s1.Cl.
What is the InChIKey of 1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride?
The InChIKey is PDHVZJCAGDATKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2.ClH/c1-12-2-3-14(23-12)16(21)19-7-5-18(6-8-19)15(20)10-13-11-22-9-4-17-13;/h2-3,13,17H,4-11H2,1H3;1H.
What are the key properties of 1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride?
1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride is sourced from PubChem (CID 119937606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).