2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone

C15H25N5OS — CID 3228975

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C15H25N5OS/c1-11-6-5-7-12(2)19(11)14(21)10-22-15-16-17-18-20(15)13-8-3-4-9-13/h11-13H,3-10H2,1-2H3
InChIKeyMNMCTQODPOJJLW-UHFFFAOYSA-N
MW323.47 g/mol
LogP2.67
Rot. Bonds4

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 3228975) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID3228975
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C15H25N5OS/c1-11-6-5-7-12(2)19(11)14(21)10-22-15-16-17-18-20(15)13-8-3-4-9-13/h11-13H,3-10H2,1-2H3
InChIKeyMNMCTQODPOJJLW-UHFFFAOYSA-N
XLogP2.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 3228975) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)CSc1nnnn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is MNMCTQODPOJJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-11-6-5-7-12(2)19(11)14(21)10-22-15-16-17-18-20(15)13-8-3-4-9-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 323.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3228975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).