N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

C13H19N3O2S2 — CID 46353486

IUPACN-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H19N3O2S2/c1-10-12(11(2)16(4)14-10)7-8-15(3)20(17,18)13-6-5-9-19-13/h5-6,9H,7-8H2,1-4H3
InChIKeyCEVRWLPQSSHTPD-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.96
Rot. Bonds5

About N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 46353486) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID46353486
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC NameN-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H19N3O2S2/c1-10-12(11(2)16(4)14-10)7-8-15(3)20(17,18)13-6-5-9-19-13/h5-6,9H,7-8H2,1-4H3
InChIKeyCEVRWLPQSSHTPD-UHFFFAOYSA-N
XLogP1.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-trimethyl-N-(thien-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 3243813
N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63248119
1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-(thiophen-2-ylsulfonyl)piperazine
CID 71783865
N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine
CID 97404986
N-[(1S,4S)-4-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]thiophene-2-sulfonamide
CID 40780396
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 8005338
1-((5-chlorothiophen-2-yl)sulfonyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)piperidine
CID 71781250
N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 71806202
N-cyclopropyl-1,3,5-trimethyl-N-(2-(thiophen-2-yl)ethyl)-1H-pyrazole-4-sulfonamide
CID 71806207
1,3,5-trimethyl-N-((1-(thiophen-3-ylmethyl)piperidin-4-yl)methyl)-1H-pyrazole-4-sulfonamide
CID 71806266
4-(thiophen-3-yl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 71806417
N-cyclopentyl-N-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)thiophene-2-sulfonamide
CID 86266502

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 46353486) is N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is Cc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is CEVRWLPQSSHTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-10-12(11(2)16(4)14-10)7-8-15(3)20(17,18)13-6-5-9-19-13/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 313.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46353486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).