1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone

C14H26N2O3S — CID 91921325

IUPAC1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone
SMILESCCCS(=O)(=O)N1CCC(C2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C14H26N2O3S/c1-3-10-20(18,19)16-9-6-14(11-16)13-4-7-15(8-5-13)12(2)17/h13-14H,3-11H2,1-2H3
InChIKeyYSZYVKZBXXXPOQ-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.31
Rot. Bonds4

About 1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone

1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone (PubChem CID 91921325) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone
PubChem CID91921325
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone
SMILESCCCS(=O)(=O)N1CCC(C2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C14H26N2O3S/c1-3-10-20(18,19)16-9-6-14(11-16)13-4-7-15(8-5-13)12(2)17/h13-14H,3-11H2,1-2H3
InChIKeyYSZYVKZBXXXPOQ-UHFFFAOYSA-N
XLogP1.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003864
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone
CID 46228228
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675
N-(1-propylsulfonylpiperidin-3-yl)acetamide
CID 61384209
1-propylsulfonylpiperidine-4-carboxamide
CID 6473107
morpholin-4-yl-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55683506
1-[4-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 91921334
3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine
CID 164775491
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone (CID 91921325) is 1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone is CCCS(=O)(=O)N1CCC(C2CCN(C(C)=O)CC2)C1.
What is the InChIKey of 1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is YSZYVKZBXXXPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-3-10-20(18,19)16-9-6-14(11-16)13-4-7-15(8-5-13)12(2)17/h13-14H,3-11H2,1-2H3.
What are the key properties of 1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone?
1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 302.44 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91921325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).