N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide

C15H29N3O3S — CID 146131722

IUPACN-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-13(12-22(2,20)21)16-15(19)18-10-6-14(7-11-18)17-8-4-3-5-9-17/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyAFMRIVPLTBQLQB-UHFFFAOYSA-N
MW331.48 g/mol
LogP1.08
Rot. Bonds4

About N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide

N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide (PubChem CID 146131722) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide
PubChem CID146131722
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-13(12-22(2,20)21)16-15(19)18-10-6-14(7-11-18)17-8-4-3-5-9-17/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyAFMRIVPLTBQLQB-UHFFFAOYSA-N
XLogP1.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide (CID 146131722) is N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide is CC(CS(C)(=O)=O)NC(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide?
The InChIKey is AFMRIVPLTBQLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-13(12-22(2,20)21)16-15(19)18-10-6-14(7-11-18)17-8-4-3-5-9-17/h13-14H,3-12H2,1-2H3,(H,16,19).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide?
N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide has a molecular weight of 331.48 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-4-piperidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 146131722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).