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

C11H17N5O2S2 — CID 106073578

IUPAC5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCCc1ncn(C)n1
InChIInChI=1S/C11H17N5O2S2/c1-8-10(5-9(6-12)19-8)20(17,18)14-4-3-11-13-7-16(2)15-11/h5,7,14H,3-4,6,12H2,1-2H3
InChIKeyPBZRSBYHKSMFHG-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.16
Rot. Bonds6

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

5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106073578) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106073578
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCCc1ncn(C)n1
InChIInChI=1S/C11H17N5O2S2/c1-8-10(5-9(6-12)19-8)20(17,18)14-4-3-11-13-7-16(2)15-11/h5,7,14H,3-4,6,12H2,1-2H3
InChIKeyPBZRSBYHKSMFHG-UHFFFAOYSA-N
XLogP0.16
TPSA102.90 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 ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073530
5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 80689627
5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide
CID 106029787
5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 106076963
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide
CID 80686088
5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
CID 106077042
5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 80685572
3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 80683751
5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085403
5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide
CID 106062661
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylthiophene-3-sulfonamide
CID 114142094

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide (CID 106073578) is 5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)NCCc1ncn(C)n1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is PBZRSBYHKSMFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-8-10(5-9(6-12)19-8)20(17,18)14-4-3-11-13-7-16(2)15-11/h5,7,14H,3-4,6,12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106073578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).