3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine

C14H25N3O3S — CID 71982203

IUPAC3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine
SMILESCCOCC1CCCN(S(=O)(=O)c2cnc(C(C)C)[nH]2)C1
InChIInChI=1S/C14H25N3O3S/c1-4-20-10-12-6-5-7-17(9-12)21(18,19)13-8-15-14(16-13)11(2)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,15,16)
InChIKeyUTTZTDJTKJXBTF-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.97
Rot. Bonds6

About 3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine

3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine (PubChem CID 71982203) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine.

Molecular Properties

Compound Name3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine
PubChem CID71982203
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine
SMILESCCOCC1CCCN(S(=O)(=O)c2cnc(C(C)C)[nH]2)C1
InChIInChI=1S/C14H25N3O3S/c1-4-20-10-12-6-5-7-17(9-12)21(18,19)13-8-15-14(16-13)11(2)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,15,16)
InChIKeyUTTZTDJTKJXBTF-UHFFFAOYSA-N
XLogP1.97
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine?
The IUPAC name of 3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine (CID 71982203) is 3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine.
What is the SMILES notation for 3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine?
The canonical SMILES for 3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine is CCOCC1CCCN(S(=O)(=O)c2cnc(C(C)C)[nH]2)C1.
What is the InChIKey of 3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine?
The InChIKey is UTTZTDJTKJXBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-4-20-10-12-6-5-7-17(9-12)21(18,19)13-8-15-14(16-13)11(2)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,15,16).
What are the key properties of 3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine?
3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine has a molecular weight of 315.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine is sourced from PubChem (CID 71982203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).