N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride

C13H22ClN3O3S3 — CID 119431684

IUPACN-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1.Cl
InChIInChI=1S/C13H21N3O3S3.ClH/c1-14-4-2-5-15-13(17)12-11(3-8-21-12)22(18,19)16-6-9-20-10-7-16;/h3,8,14H,2,4-7,9-10H2,1H3,(H,15,17);1H
InChIKeyCZMLJSJPQQJSTN-UHFFFAOYSA-N
MW399.99 g/mol
LogP1.25
Rot. Bonds7

About N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride

N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride (PubChem CID 119431684) has the molecular formula C13H22ClN3O3S3 and a molecular weight of 399.99 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
PubChem CID119431684
Molecular FormulaC13H22ClN3O3S3
Molecular Weight399.99 g/mol
Exact Mass399.05
IUPAC NameN-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1.Cl
InChIInChI=1S/C13H21N3O3S3.ClH/c1-14-4-2-5-15-13(17)12-11(3-8-21-12)22(18,19)16-6-9-20-10-7-16;/h3,8,14H,2,4-7,9-10H2,1H3,(H,15,17);1H
InChIKeyCZMLJSJPQQJSTN-UHFFFAOYSA-N
XLogP1.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.99
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 119535631
N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338664
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 119512106
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 119502755
N-[4-(4-ethylpiperazin-1-yl)butyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 78871188
N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60593967
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
N-butyl-3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076889
N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 167886194
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride (CID 119431684) is N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride is CNCCCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride?
The InChIKey is CZMLJSJPQQJSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S3.ClH/c1-14-4-2-5-15-13(17)12-11(3-8-21-12)22(18,19)16-6-9-20-10-7-16;/h3,8,14H,2,4-7,9-10H2,1H3,(H,15,17);1H.
What are the key properties of N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride?
N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride has a molecular weight of 399.99 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119431684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).