2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone

C16H26N2O3S — CID 164556652

IUPAC2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESC[C@H]1CC1C(=O)N1CCN(C(=O)CS(=O)C2CCCC2)CC1
InChIInChI=1S/C16H26N2O3S/c1-12-10-14(12)16(20)18-8-6-17(7-9-18)15(19)11-22(21)13-4-2-3-5-13/h12-14H,2-11H2,1H3/t12-,14?,22?/m0/s1
InChIKeyAZRLCPGFFQIHDE-SZECWLACSA-N
MW326.46 g/mol
LogP1.00
Rot. Bonds4

About 2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone

2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 164556652) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone
PubChem CID164556652
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESC[C@H]1CC1C(=O)N1CCN(C(=O)CS(=O)C2CCCC2)CC1
InChIInChI=1S/C16H26N2O3S/c1-12-10-14(12)16(20)18-8-6-17(7-9-18)15(19)11-22(21)13-4-2-3-5-13/h12-14H,2-11H2,1H3/t12-,14?,22?/m0/s1
InChIKeyAZRLCPGFFQIHDE-SZECWLACSA-N
XLogP1.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid
CID 62657428
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 75381738
[4-(2-hydroxyethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 43416228
cis-ethyl (1R,2S)-2-[4-[(1R,2R)-2-methylcyclopropanecarbonyl]piperazin-1-yl]cyclohexane-1-carboxylate
CID 124856389
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(2-methylcyclopropyl)methanone
CID 63394830
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]butanenitrile
CID 63337639
1-[2-(oxan-4-ylsulfinyl)acetyl]piperidin-4-one
CID 64640780
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone
CID 80552587
2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide
CID 63336059
(3-hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone (CID 164556652) is 2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone is C[C@H]1CC1C(=O)N1CCN(C(=O)CS(=O)C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is AZRLCPGFFQIHDE-SZECWLACSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12-10-14(12)16(20)18-8-6-17(7-9-18)15(19)11-22(21)13-4-2-3-5-13/h12-14H,2-11H2,1H3/t12-,14?,22?/m0/s1.
What are the key properties of 2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 326.46 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 164556652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).