(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide

C14H23N5O2S — CID 124741936

IUPAC(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide
SMILESC[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2nccn2C)C1
InChIInChI=1S/C14H23N5O2S/c1-12(9-15)10-18(3)22(20,21)19-7-4-5-13(11-19)14-16-6-8-17(14)2/h6,8,12-13H,4-5,7,10-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyXAYRVNXDDXSRCL-CHWSQXEVSA-N
MW325.44 g/mol
LogP0.94
Rot. Bonds5

About (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide

(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide (PubChem CID 124741936) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide
PubChem CID124741936
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide
SMILESC[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2nccn2C)C1
InChIInChI=1S/C14H23N5O2S/c1-12(9-15)10-18(3)22(20,21)19-7-4-5-13(11-19)14-16-6-8-17(14)2/h6,8,12-13H,4-5,7,10-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyXAYRVNXDDXSRCL-CHWSQXEVSA-N
XLogP0.94
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide?
The IUPAC name of (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide (CID 124741936) is (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide is C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2nccn2C)C1.
What is the InChIKey of (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide?
The InChIKey is XAYRVNXDDXSRCL-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-12(9-15)10-18(3)22(20,21)19-7-4-5-13(11-19)14-16-6-8-17(14)2/h6,8,12-13H,4-5,7,10-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide?
(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide has a molecular weight of 325.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 124741936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).