5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide

C12H19N5O2S2 — CID 106089796

IUPAC5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2nnc(CC)s2)cn1C
InChIInChI=1S/C12H19N5O2S2/c1-4-11-14-15-12(20-11)16-21(18,19)10-6-9(7-13-5-2)17(3)8-10/h6,8,13H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyYHXZLRUIFSOBPB-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.35
Rot. Bonds7

About 5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide (PubChem CID 106089796) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide
PubChem CID106089796
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2nnc(CC)s2)cn1C
InChIInChI=1S/C12H19N5O2S2/c1-4-11-14-15-12(20-11)16-21(18,19)10-6-9(7-13-5-2)17(3)8-10/h6,8,13H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyYHXZLRUIFSOBPB-UHFFFAOYSA-N
XLogP1.35
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.35
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
1-methyl-4-(propan-2-ylsulfamoyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 25616282
N-[(1-ethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methyl]ethanamine
CID 65731921
N-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methyl]propan-1-amine
CID 65732293
N-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methyl]ethanamine
CID 65732482
N-[(1-propyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methyl]propan-1-amine
CID 65732873
N-[(1-ethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methyl]propan-1-amine
CID 65733058

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide (CID 106089796) is 5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2nnc(CC)s2)cn1C.
What is the InChIKey of 5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is YHXZLRUIFSOBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-4-11-14-15-12(20-11)16-21(18,19)10-6-9(7-13-5-2)17(3)8-10/h6,8,13H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 106089796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).