ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate

C14H22ClN3O4S — CID 70752628

IUPACethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C14H22ClN3O4S/c1-4-22-12(19)9-11-7-5-6-8-18(11)23(20,21)13-10(2)16-17(3)14(13)15/h11H,4-9H2,1-3H3
InChIKeyRMCFAZYFPRBLID-UHFFFAOYSA-N
MW363.87 g/mol
LogP1.88
Rot. Bonds5

About ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate

ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate (PubChem CID 70752628) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate
PubChem CID70752628
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Nameethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C14H22ClN3O4S/c1-4-22-12(19)9-11-7-5-6-8-18(11)23(20,21)13-10(2)16-17(3)14(13)15/h11H,4-9H2,1-3H3
InChIKeyRMCFAZYFPRBLID-UHFFFAOYSA-N
XLogP1.88
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 4990872
(2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
CID 92952190
4-(2-benzylpyrrolidin-1-yl)sulfonyl-5-chloro-1,3-dimethylpyrazole
CID 166186757
5-chloro-4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrazole
CID 75373833
2-(2-bromoethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 80671277
3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584705
[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol
CID 105358382
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
CID 62061770
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]acetic acid
CID 61010548
4-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole
CID 138997310
2-[1-(3-ethoxy-3-oxopropyl)sulfonylpiperidin-2-yl]acetic acid
CID 61459168
ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate
CID 66591598

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate (CID 70752628) is ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1S(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate?
The InChIKey is RMCFAZYFPRBLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O4S/c1-4-22-12(19)9-11-7-5-6-8-18(11)23(20,21)13-10(2)16-17(3)14(13)15/h11H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate?
ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate has a molecular weight of 363.87 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate is sourced from PubChem (CID 70752628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).