5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide

C9H17N5O2S2 — CID 113383127

IUPAC5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C9H17N5O2S2/c1-2-14-5-3-4-7(14)6-11-18(15,16)9-13-12-8(10)17-9/h7,11H,2-6H2,1H3,(H2,10,12)
InChIKeyWQHNPTFDHRKQME-UHFFFAOYSA-N
MW291.40 g/mol
LogP-0.12
Rot. Bonds5

About 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide

5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 113383127) has the molecular formula C9H17N5O2S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
PubChem CID113383127
Molecular FormulaC9H17N5O2S2
Molecular Weight291.40 g/mol
Exact Mass291.08
IUPAC Name5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C9H17N5O2S2/c1-2-14-5-3-4-7(14)6-11-18(15,16)9-13-12-8(10)17-9/h7,11H,2-6H2,1H3,(H2,10,12)
InChIKeyWQHNPTFDHRKQME-UHFFFAOYSA-N
XLogP-0.12
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 60813192
4-amino-2,6-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 43257821
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 43109838
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80744951
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 23151964
6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873540
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 127266419
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide (CID 113383127) is 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide is CCN1CCCC1CNS(=O)(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is WQHNPTFDHRKQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S2/c1-2-14-5-3-4-7(14)6-11-18(15,16)9-13-12-8(10)17-9/h7,11H,2-6H2,1H3,(H2,10,12).
What are the key properties of 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 291.40 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 113383127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).