5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride

C17H26ClN3O2S2 — CID 119938169

IUPAC5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCN(C(=O)CC3CSCCN3)CC2)s1.Cl
InChIInChI=1S/C17H25N3O2S2.ClH/c1-12-2-3-15(24-12)17(22)19-13-4-7-20(8-5-13)16(21)10-14-11-23-9-6-18-14;/h2-3,13-14,18H,4-11H2,1H3,(H,19,22);1H
InChIKeyARCDPJWFHIGPRH-UHFFFAOYSA-N
MW404.00 g/mol
LogP2.29
Rot. Bonds4

About 5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride

5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119938169) has the molecular formula C17H26ClN3O2S2 and a molecular weight of 404.00 g/mol. Its IUPAC name is 5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID119938169
Molecular FormulaC17H26ClN3O2S2
Molecular Weight404.00 g/mol
Exact Mass403.12
IUPAC Name5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCN(C(=O)CC3CSCCN3)CC2)s1.Cl
InChIInChI=1S/C17H25N3O2S2.ClH/c1-12-2-3-15(24-12)17(22)19-13-4-7-20(8-5-13)16(21)10-14-11-23-9-6-18-14;/h2-3,13-14,18H,4-11H2,1H3,(H,19,22);1H
InChIKeyARCDPJWFHIGPRH-UHFFFAOYSA-N
XLogP2.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.00
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119937606
2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 119938637
2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049
2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide
CID 66422654
N-[1-(4-aminobutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 119309719
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 120590841
5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361294
5-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361441
5-methyl-N-[1-(morpholine-3-carbonyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119759722
N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936002
5-methyl-N-[1-(piperidine-3-carbonyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119309715

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride (CID 119938169) is 5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride is Cc1ccc(C(=O)NC2CCN(C(=O)CC3CSCCN3)CC2)s1.Cl.
What is the InChIKey of 5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is ARCDPJWFHIGPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S2.ClH/c1-12-2-3-15(24-12)17(22)19-13-4-7-20(8-5-13)16(21)10-14-11-23-9-6-18-14;/h2-3,13-14,18H,4-11H2,1H3,(H,19,22);1H.
What are the key properties of 5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride?
5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 404.00 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119938169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).