5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide

C13H20N4O2S2 — CID 106015104

IUPAC5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NCc2cn[nH]c2C)cc1C
InChIInChI=1S/C13H20N4O2S2/c1-4-14-8-12-9(2)5-13(20-12)21(18,19)16-7-11-6-15-17-10(11)3/h5-6,14,16H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyVMJUZHJYHAXESE-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.68
Rot. Bonds7

About 5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide

5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106015104) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID106015104
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NCc2cn[nH]c2C)cc1C
InChIInChI=1S/C13H20N4O2S2/c1-4-14-8-12-9(2)5-13(20-12)21(18,19)16-7-11-6-15-17-10(11)3/h5-6,14,16H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyVMJUZHJYHAXESE-UHFFFAOYSA-N
XLogP1.68
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106015443
5-(ethylaminomethyl)-4-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106030879
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 61301349
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106017150
5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 114166204
5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015128
5-(ethylaminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106296004
5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106015627
5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106053936
5-(ethylaminomethyl)-4-methyl-N-(5-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106087972

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 106015104) is 5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide is CCNCc1sc(S(=O)(=O)NCc2cn[nH]c2C)cc1C.
What is the InChIKey of 5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is VMJUZHJYHAXESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-4-14-8-12-9(2)5-13(20-12)21(18,19)16-7-11-6-15-17-10(11)3/h5-6,14,16H,4,7-8H2,1-3H3,(H,15,17).
What are the key properties of 5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide?
5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106015104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).