N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide

C11H23N3O2S — CID 164642520

IUPACN-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCN1CCCC[C@@H]1CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H23N3O2S/c1-13-7-3-2-6-11(13)10-12-17(15,16)14-8-4-5-9-14/h11-12H,2-10H2,1H3/t11-/m1/s1
InChIKeyVHQFPWRPTAQRLE-LLVKDONJSA-N
MW261.39 g/mol
LogP0.40
Rot. Bonds4

About N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide

N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 164642520) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID164642520
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCN1CCCC[C@@H]1CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H23N3O2S/c1-13-7-3-2-6-11(13)10-12-17(15,16)14-8-4-5-9-14/h11-12H,2-10H2,1H3/t11-/m1/s1
InChIKeyVHQFPWRPTAQRLE-LLVKDONJSA-N
XLogP0.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide (CID 164642520) is N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide is CN1CCCC[C@@H]1CNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is VHQFPWRPTAQRLE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-13-7-3-2-6-11(13)10-12-17(15,16)14-8-4-5-9-14/h11-12H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide?
N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 261.39 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 164642520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).