5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide

C14H15ClN2O2S — CID 22512110

IUPAC5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCCC1
InChIInChI=1S/C14H15ClN2O2S/c1-10-13(11-4-6-12(15)7-5-11)20(18,19)16-14(10)17-8-2-3-9-17/h4-7H,2-3,8-9H2,1H3
InChIKeyHECMVWUSSDIWCV-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.91
Rot. Bonds1

About 5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide

5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide (PubChem CID 22512110) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
PubChem CID22512110
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCCC1
InChIInChI=1S/C14H15ClN2O2S/c1-10-13(11-4-6-12(15)7-5-11)20(18,19)16-14(10)17-8-2-3-9-17/h4-7H,2-3,8-9H2,1H3
InChIKeyHECMVWUSSDIWCV-UHFFFAOYSA-N
XLogP2.91
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-5-(4-methylphenyl)-3-(1-pyrrolidinyl)isothiazole 1,1-dioxide
CID 6623889
4-Methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
CID 22512598
5-(4-Fluorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
CID 20934707
5-(4-chlorophenyl)-4-methyl-3-piperidino-1H-1lambda~6~-isothiazole-1,1-dione
CID 22512121
N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine
CID 22512105
5-(4-Chlorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide
CID 22512112
5-(4-Chlorophenyl)-4-methyl-3-[4-(1-piperidyl)-1-piperidyl]isothiazole 1,1-dioxide
CID 22512115
5-(4-Chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide
CID 22512116
5-(4-Chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide
CID 22512119
1-[5-(3-Chlorophenyl)-4-methyl-1,1-dioxido-3-isothiazolyl]-4-methylpiperidine
CID 22512364
5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-isothiazol-3-amine
CID 22512366
5-(3-Chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
CID 22512367

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide (CID 22512110) is 5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide is CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide?
The InChIKey is HECMVWUSSDIWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10-13(11-4-6-12(15)7-5-11)20(18,19)16-14(10)17-8-2-3-9-17/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide?
5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide has a molecular weight of 310.81 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 22512110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).