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

C10H15N5O2S2 — CID 106093491

IUPAC5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ncn(C)n2)s1
InChIInChI=1S/C10H15N5O2S2/c1-11-5-8-3-4-10(18-8)19(16,17)13-6-9-12-7-15(2)14-9/h3-4,7,11,13H,5-6H2,1-2H3
InChIKeySDQGDEDAEOQYSK-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.07
Rot. Bonds6

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

5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106093491) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID106093491
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC Name5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ncn(C)n2)s1
InChIInChI=1S/C10H15N5O2S2/c1-11-5-8-3-4-10(18-8)19(16,17)13-6-9-12-7-15(2)14-9/h3-4,7,11,13H,5-6H2,1-2H3
InChIKeySDQGDEDAEOQYSK-UHFFFAOYSA-N
XLogP0.07
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106269751
5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106411040
5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 80689627
2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073530
5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 106077162
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106000806
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015128
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106062054
1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole
CID 103882779
N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106052050
4-(cyanomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 103883887

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide (CID 106093491) is 5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCc2ncn(C)n2)s1.
What is the InChIKey of 5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is SDQGDEDAEOQYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S2/c1-11-5-8-3-4-10(18-8)19(16,17)13-6-9-12-7-15(2)14-9/h3-4,7,11,13H,5-6H2,1-2H3.
What are the key properties of 5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 301.40 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106093491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).