N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide

C11H21N3O3S — CID 4281760

IUPACN-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C11H21N3O3S/c1-12-11(15)10-5-4-8-14(9-10)18(16,17)13-6-2-3-7-13/h10H,2-9H2,1H3,(H,12,15)
InChIKeyUXCBPQSVVNYVSK-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.22
Rot. Bonds3

About N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide

N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide (PubChem CID 4281760) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
PubChem CID4281760
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C11H21N3O3S/c1-12-11(15)10-5-4-8-14(9-10)18(16,17)13-6-2-3-7-13/h10H,2-9H2,1H3,(H,12,15)
InChIKeyUXCBPQSVVNYVSK-UHFFFAOYSA-N
XLogP-0.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide (CID 4281760) is N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide is CNC(=O)C1CCCN(S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is UXCBPQSVVNYVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-12-11(15)10-5-4-8-14(9-10)18(16,17)13-6-2-3-7-13/h10H,2-9H2,1H3,(H,12,15).
What are the key properties of N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 275.37 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4281760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).