1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide

C12H19N5O2S2 — CID 106081278

IUPAC1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nncs2)cc1CNC(C)C
InChIInChI=1S/C12H19N5O2S2/c1-4-17-7-11(5-10(17)6-13-9(2)3)21(18,19)16-12-15-14-8-20-12/h5,7-9,13H,4,6H2,1-3H3,(H,15,16)
InChIKeyIFCYTWHZTYLBKW-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.66
Rot. Bonds7

About 1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide

1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide (PubChem CID 106081278) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
PubChem CID106081278
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nncs2)cc1CNC(C)C
InChIInChI=1S/C12H19N5O2S2/c1-4-17-7-11(5-10(17)6-13-9(2)3)21(18,19)16-12-15-14-8-20-12/h5,7-9,13H,4,6H2,1-3H3,(H,15,16)
InChIKeyIFCYTWHZTYLBKW-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106059232
5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
CID 106081058
1-ethyl-N-(1-methoxypropan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106057163
4-[2-(propan-2-ylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081200
2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081167
5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide
CID 106081244
1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide
CID 106072059
1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106053778
5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
CID 106081287
5-(aminomethyl)-1-ethyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 106019026
1-ethyl-5-(ethylaminomethyl)-N',N'-dimethylpyrrole-3-sulfonohydrazide
CID 106075020
1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide
CID 106077651

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide (CID 106081278) is 1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)Nc2nncs2)cc1CNC(C)C.
What is the InChIKey of 1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide?
The InChIKey is IFCYTWHZTYLBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-4-17-7-11(5-10(17)6-13-9(2)3)21(18,19)16-12-15-14-8-20-12/h5,7-9,13H,4,6H2,1-3H3,(H,15,16).
What are the key properties of 1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide?
1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106081278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).