1-propylsulfonylpiperidine-4-carboxamide

C9H18N2O3S — CID 6473107

IUPAC1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C9H18N2O3S/c1-2-7-15(13,14)11-5-3-8(4-6-11)9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyUYURSYFZUWWUGI-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.08
Rot. Bonds4

About 1-propylsulfonylpiperidine-4-carboxamide

1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 6473107) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-propylsulfonylpiperidine-4-carboxamide
PubChem CID6473107
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C9H18N2O3S/c1-2-7-15(13,14)11-5-3-8(4-6-11)9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyUYURSYFZUWWUGI-UHFFFAOYSA-N
XLogP-0.08
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 86865848
1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003864
1-butylsulfonylpiperidine-4-carbothioamide
CID 39364305
(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113003728
1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide
CID 90924048
4-carbamoylpiperidine-1-sulfonyl chloride
CID 16786397
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide
CID 110678594
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid
CID 63876688
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-propylsulfonylpiperidine-4-carboxamide (CID 6473107) is 1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is UYURSYFZUWWUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-7-15(13,14)11-5-3-8(4-6-11)9(10)12/h8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 1-propylsulfonylpiperidine-4-carboxamide?
1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 234.32 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 6473107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).