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

C10H15N5O2S2 — CID 106302320

IUPAC5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C10H15N5O2S2/c1-2-15-7-12-14-9(15)6-13-19(16,17)10-4-3-8(5-11)18-10/h3-4,7,13H,2,5-6,11H2,1H3
InChIKeyDUTADOPNPXTCSE-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.30
Rot. Bonds6

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

5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106302320) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID106302320
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC Name5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C10H15N5O2S2/c1-2-15-7-12-14-9(15)6-13-19(16,17)10-4-3-8(5-11)18-10/h3-4,7,13H,2,5-6,11H2,1H3
InChIKeyDUTADOPNPXTCSE-UHFFFAOYSA-N
XLogP0.30
TPSA102.90 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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 114170773
5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 106303562
5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylfuran-3-sulfonamide
CID 106304313
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydrazinylbenzenesulfonamide
CID 114170893
3-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbenzenesulfonamide
CID 106304354
5-[2-(ethylamino)ethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016215
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide
CID 106304253
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4-trifluorobenzenesulfonamide
CID 47064982
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methylamino)benzenesulfonamide
CID 106304082
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47064994
2,5-dibromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 47318751
5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide (CID 106302320) is 5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide is CCn1cnnc1CNS(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is DUTADOPNPXTCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S2/c1-2-15-7-12-14-9(15)6-13-19(16,17)10-4-3-8(5-11)18-10/h3-4,7,13H,2,5-6,11H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide?
5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 301.40 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106302320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).