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

C11H17N5O2S2 — CID 106089797

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(CNC)n(C)c2)s1
InChIInChI=1S/C11H17N5O2S2/c1-4-10-13-14-11(19-10)15-20(17,18)9-5-8(6-12-2)16(3)7-9/h5,7,12H,4,6H2,1-3H3,(H,14,15)
InChIKeyHTMPAYROFKTCTQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.96
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 106089797) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
PubChem CID106089797
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(CNC)n(C)c2)s1
InChIInChI=1S/C11H17N5O2S2/c1-4-10-13-14-11(19-10)15-20(17,18)9-5-8(6-12-2)16(3)7-9/h5,7,12H,4,6H2,1-3H3,(H,14,15)
InChIKeyHTMPAYROFKTCTQ-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-butyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 75447128
3-fluoro-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71858213
4-fluoro-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71858215
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476459
ethane;6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfinamide
CID 144215831
2-(5-Amino-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 16638704
4-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 17411876
5-[(1-Methylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 17603856
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 29410809
N-methyl-1-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanamine
CID 65732483
1-(1-ethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N-methylmethanamine
CID 65732679
N-methyl-1-(1-propyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanamine
CID 65732874

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide (CID 106089797) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide is CCc1nnc(NS(=O)(=O)c2cc(CNC)n(C)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is HTMPAYROFKTCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-4-10-13-14-11(19-10)15-20(17,18)9-5-8(6-12-2)16(3)7-9/h5,7,12H,4,6H2,1-3H3,(H,14,15).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106089797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).