2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide

C12H21N3O2S2 — CID 128852399

IUPAC2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(C)CC2CCCN2C)s1
InChIInChI=1S/C12H21N3O2S2/c1-4-11-13-8-12(18-11)19(16,17)15(3)9-10-6-5-7-14(10)2/h8,10H,4-7,9H2,1-3H3
InChIKeyVBRRQYBFNLIMGK-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.42
Rot. Bonds5

About 2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide

2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 128852399) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID128852399
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(C)CC2CCCN2C)s1
InChIInChI=1S/C12H21N3O2S2/c1-4-11-13-8-12(18-11)19(16,17)15(3)9-10-6-5-7-14(10)2/h8,10H,4-7,9H2,1-3H3
InChIKeyVBRRQYBFNLIMGK-UHFFFAOYSA-N
XLogP1.42
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-5-sulfonamide
CID 79312411
5-(2-hydroxyethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 79318370
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 59418403
6-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 79319842
6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 114613614
N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 79308817
5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide
CID 106468079
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 79304613
5-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-3-sulfonamide
CID 79317908
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79309236
2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 79319040
5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
CID 79317578

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 128852399) is 2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N(C)CC2CCCN2C)s1.
What is the InChIKey of 2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is VBRRQYBFNLIMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-4-11-13-8-12(18-11)19(16,17)15(3)9-10-6-5-7-14(10)2/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide?
2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 128852399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).