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

C13H20N4O2S2 — CID 106094908

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2cnn(C)c2C)c(C)s1
InChIInChI=1S/C13H20N4O2S2/c1-9-11(6-15-17(9)4)7-16-21(18,19)13-5-12(8-14-3)20-10(13)2/h5-6,14,16H,7-8H2,1-4H3
InChIKeyORTNDTMIIORFAD-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.30
Rot. Bonds6

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106094908) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106094908
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2cnn(C)c2C)c(C)s1
InChIInChI=1S/C13H20N4O2S2/c1-9-11(6-15-17(9)4)7-16-21(18,19)13-5-12(8-14-3)20-10(13)2/h5-6,14,16H,7-8H2,1-4H3
InChIKeyORTNDTMIIORFAD-UHFFFAOYSA-N
XLogP1.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 106054518
5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 103858768
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209434
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106094931
5-(2-aminoethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106049150
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106033916
2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073530
2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 83147747
2-methyl-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102915780
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106033797
5-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 106033980

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106094908) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCc2cnn(C)c2C)c(C)s1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is ORTNDTMIIORFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-9-11(6-15-17(9)4)7-16-21(18,19)13-5-12(8-14-3)20-10(13)2/h5-6,14,16H,7-8H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106094908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).