N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide

C13H26N2O3S — CID 64642823

IUPACN-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NC(C)CS(C)(=O)=O)CCCNC1
InChIInChI=1S/C13H26N2O3S/c1-4-6-13(7-5-8-14-10-13)12(16)15-11(2)9-19(3,17)18/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyOSEGAGHEWRDZRC-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.71
Rot. Bonds6

About N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide

N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide (PubChem CID 64642823) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide
PubChem CID64642823
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NC(C)CS(C)(=O)=O)CCCNC1
InChIInChI=1S/C13H26N2O3S/c1-4-6-13(7-5-8-14-10-13)12(16)15-11(2)9-19(3,17)18/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyOSEGAGHEWRDZRC-UHFFFAOYSA-N
XLogP0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide (CID 64642823) is N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NC(C)CS(C)(=O)=O)CCCNC1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide?
The InChIKey is OSEGAGHEWRDZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-6-13(7-5-8-14-10-13)12(16)15-11(2)9-19(3,17)18/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide?
N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 64642823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).