1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine

C13H21N3O3S2 — CID 64722138

IUPAC1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCc1cc(C(=O)N2CCCC(CNS(N)(=O)=O)C2)sc1C
InChIInChI=1S/C13H21N3O3S2/c1-9-6-12(20-10(9)2)13(17)16-5-3-4-11(8-16)7-15-21(14,18)19/h6,11,15H,3-5,7-8H2,1-2H3,(H2,14,18,19)
InChIKeyHDEIECTVIPYGFR-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.01
Rot. Bonds4

About 1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine

1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 64722138) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID64722138
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCc1cc(C(=O)N2CCCC(CNS(N)(=O)=O)C2)sc1C
InChIInChI=1S/C13H21N3O3S2/c1-9-6-12(20-10(9)2)13(17)16-5-3-4-11(8-16)7-15-21(14,18)19/h6,11,15H,3-5,7-8H2,1-2H3,(H2,14,18,19)
InChIKeyHDEIECTVIPYGFR-UHFFFAOYSA-N
XLogP1.01
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 80534447
[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 65238887
1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 79461060
2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine
CID 78999103
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
1-[2-methyl-2-(methylamino)propanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 62846901
2-oxo-5-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-1H-pyrazine
CID 61130865
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454
1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine
CID 107992574
(5-bromo-4-methylthiophen-2-yl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 79996780
1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62727034

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (CID 64722138) is 1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is Cc1cc(C(=O)N2CCCC(CNS(N)(=O)=O)C2)sc1C.
What is the InChIKey of 1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is HDEIECTVIPYGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-9-6-12(20-10(9)2)13(17)16-5-3-4-11(8-16)7-15-21(14,18)19/h6,11,15H,3-5,7-8H2,1-2H3,(H2,14,18,19).
What are the key properties of 1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 331.46 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 64722138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).