N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide

C13H26N2O3S — CID 86865848

IUPACN,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)N(CC)CC)CC1
InChIInChI=1S/C13H26N2O3S/c1-4-11-19(17,18)15-9-7-12(8-10-15)13(16)14(5-2)6-3/h12H,4-11H2,1-3H3
InChIKeyXBOSYQCAVMVNTO-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.31
Rot. Bonds6

About N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide

N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 86865848) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID86865848
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)N(CC)CC)CC1
InChIInChI=1S/C13H26N2O3S/c1-4-11-19(17,18)15-9-7-12(8-10-15)13(16)14(5-2)6-3/h12H,4-11H2,1-3H3
InChIKeyXBOSYQCAVMVNTO-UHFFFAOYSA-N
XLogP1.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-N,N-dipropylpiperidine-4-carboxamide
CID 113005924
1-propylsulfonylpiperidine-4-carboxamide
CID 6473107
1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003864
2-[(1-butylsulfonylpiperidine-4-carbonyl)-methylamino]acetic acid
CID 119171791
(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113003728
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide
CID 55455065
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097
N,N-diethyl-1-methoxypiperidine-4-carboxamide
CID 59857748
2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119192749

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide (CID 86865848) is N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)N(CC)CC)CC1.
What is the InChIKey of N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is XBOSYQCAVMVNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-11-19(17,18)15-9-7-12(8-10-15)13(16)14(5-2)6-3/h12H,4-11H2,1-3H3.
What are the key properties of N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide?
N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 86865848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).