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

C11H17N5O2S2 — CID 106004654

IUPAC5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)c2nncn2C)s1
InChIInChI=1S/C11H17N5O2S2/c1-8(11-14-13-7-16(11)3)15-20(17,18)10-5-4-9(19-10)6-12-2/h4-5,7-8,12,15H,6H2,1-3H3
InChIKeyBYBOGFHHRIOGOR-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.64
Rot. Bonds6

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

5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106004654) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106004654
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)c2nncn2C)s1
InChIInChI=1S/C11H17N5O2S2/c1-8(11-14-13-7-16(11)3)15-20(17,18)10-5-4-9(19-10)6-12-2/h4-5,7-8,12,15H,6H2,1-3H3
InChIKeyBYBOGFHHRIOGOR-UHFFFAOYSA-N
XLogP0.64
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
CID 62118697
4-(ethylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106004702
4-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 62116978
5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 131934316
5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106093491
2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 62145827
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 106083800
2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 94638328
methyl 2-[5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82893986
2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
CID 62118702
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 164634288

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide (CID 106004654) is 5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NC(C)c2nncn2C)s1.
What is the InChIKey of 5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is BYBOGFHHRIOGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-8(11-14-13-7-16(11)3)15-20(17,18)10-5-4-9(19-10)6-12-2/h4-5,7-8,12,15H,6H2,1-3H3.
What are the key properties of 5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 0.64, 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-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106004654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).