5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide

C8H11N5O2S2 — CID 106081058

IUPAC5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nncs2)cc1CN
InChIInChI=1S/C8H11N5O2S2/c1-13-4-7(2-6(13)3-9)17(14,15)12-8-11-10-5-16-8/h2,4-5H,3,9H2,1H3,(H,11,12)
InChIKeyQJPQVPQWMXMQJG-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.14
Rot. Bonds4

About 5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide (PubChem CID 106081058) has the molecular formula C8H11N5O2S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
PubChem CID106081058
Molecular FormulaC8H11N5O2S2
Molecular Weight273.34 g/mol
Exact Mass273.04
IUPAC Name5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nncs2)cc1CN
InChIInChI=1S/C8H11N5O2S2/c1-13-4-7(2-6(13)3-9)17(14,15)12-8-11-10-5-16-8/h2,4-5H,3,9H2,1H3,(H,11,12)
InChIKeyQJPQVPQWMXMQJG-UHFFFAOYSA-N
XLogP0.14
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
CID 106081278
5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
CID 106002438
5-(aminomethyl)-1-methyl-N-(2-methyl-3-pyridinyl)pyrrole-3-sulfonamide
CID 106070192
5-(aminomethyl)-1-methyl-N-(6-methyl-2-pyridinyl)pyrrole-3-sulfonamide
CID 106086845
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106070785
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106076757
5-(aminomethyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106083691
5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
CID 102915873
5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106073387
3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 60809582
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106057318
5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide
CID 113489226

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide (CID 106081058) is 5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide is Cn1cc(S(=O)(=O)Nc2nncs2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide?
The InChIKey is QJPQVPQWMXMQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S2/c1-13-4-7(2-6(13)3-9)17(14,15)12-8-11-10-5-16-8/h2,4-5H,3,9H2,1H3,(H,11,12).
What are the key properties of 5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide has a molecular weight of 273.34 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106081058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).