1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine

C11H18ClN3O2S2 — CID 55158374

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cnc(Cl)s2)C1
InChIInChI=1S/C11H18ClN3O2S2/c1-3-14(4-2)9-5-6-15(8-9)19(16,17)10-7-13-11(12)18-10/h7,9H,3-6,8H2,1-2H3
InChIKeyCZJLUBRMCXVBDO-UHFFFAOYSA-N
MW323.87 g/mol
LogP1.90
Rot. Bonds5

About 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine

1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 55158374) has the molecular formula C11H18ClN3O2S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID55158374
Molecular FormulaC11H18ClN3O2S2
Molecular Weight323.87 g/mol
Exact Mass323.05
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cnc(Cl)s2)C1
InChIInChI=1S/C11H18ClN3O2S2/c1-3-14(4-2)9-5-6-15(8-9)19(16,17)10-7-13-11(12)18-10/h7,9H,3-6,8H2,1-2H3
InChIKeyCZJLUBRMCXVBDO-UHFFFAOYSA-N
XLogP1.90
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046507
5-[(3-Ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methyl-1,3-thiazole
CID 129269503
2-Methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole
CID 129269723
2-Methyl-5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole
CID 137444437
2-Chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole
CID 43427513
2-chloro-N,N-dipropyl-1,3-thiazole-5-sulfonamide
CID 43427518
2-Chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 43455758
2-Chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 43455759
2-Chloro-5-(2-methylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455772
2-Chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 43455774
2-chloro-N-[2-(diethylamino)ethyl]-1,3-thiazole-5-sulfonamide
CID 43455790
2-chloro-N-cyclohexyl-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455792

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine (CID 55158374) is 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)c2cnc(Cl)s2)C1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is CZJLUBRMCXVBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S2/c1-3-14(4-2)9-5-6-15(8-9)19(16,17)10-7-13-11(12)18-10/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine?
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 323.87 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 55158374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).