4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide

C11H16N4O2S2 — CID 106218494

IUPAC4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C11H16N4O2S2/c1-8(10-5-13-14-6-10)15-19(16,17)11-3-9(4-12-2)7-18-11/h3,5-8,12,15H,4H2,1-2H3,(H,13,14)
InChIKeyXADKMQJHNRWTJT-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.23
Rot. Bonds6

About 4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide

4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106218494) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106218494
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C11H16N4O2S2/c1-8(10-5-13-14-6-10)15-19(16,17)11-3-9(4-12-2)7-18-11/h3,5-8,12,15H,4H2,1-2H3,(H,13,14)
InChIKeyXADKMQJHNRWTJT-UHFFFAOYSA-N
XLogP1.23
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106218637
2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 106218496
N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065876
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106215347
5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106218355
5-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-sulfonamide
CID 106218530
2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 103854257
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106013512
4-[(propan-2-ylamino)methyl]-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106051299
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854165

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 106218494) is 4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NC(C)c2cn[nH]c2)c1.
What is the InChIKey of 4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is XADKMQJHNRWTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-8(10-5-13-14-6-10)15-19(16,17)11-3-9(4-12-2)7-18-11/h3,5-8,12,15H,4H2,1-2H3,(H,13,14).
What are the key properties of 4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106218494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).