N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide

C14H27N3O3S — CID 51077018

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCN1CCCC1CNC(=O)C1CCCCN1S(C)(=O)=O
InChIInChI=1S/C14H27N3O3S/c1-3-16-9-6-7-12(16)11-15-14(18)13-8-4-5-10-17(13)21(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyUTEBLFAJAZHTCT-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.40
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 51077018) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID51077018
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCN1CCCC1CNC(=O)C1CCCCN1S(C)(=O)=O
InChIInChI=1S/C14H27N3O3S/c1-3-16-9-6-7-12(16)11-15-14(18)13-8-4-5-10-17(13)21(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyUTEBLFAJAZHTCT-UHFFFAOYSA-N
XLogP0.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 51077018) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide is CCN1CCCC1CNC(=O)C1CCCCN1S(C)(=O)=O.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is UTEBLFAJAZHTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-3-16-9-6-7-12(16)11-15-14(18)13-8-4-5-10-17(13)21(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 51077018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).