N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide

C14H26N4O3S — CID 55913503

IUPACN-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C14H26N4O3S/c1-16(6-2-5-15)22(19,20)18-7-3-14(4-8-18)13-17-9-11-21-12-10-17/h14H,2-4,6-13H2,1H3
InChIKeyBAODMEIJYQDEOS-UHFFFAOYSA-N
MW330.45 g/mol
LogP0.12
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide

N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide (PubChem CID 55913503) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide
PubChem CID55913503
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC NameN-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C14H26N4O3S/c1-16(6-2-5-15)22(19,20)18-7-3-14(4-8-18)13-17-9-11-21-12-10-17/h14H,2-4,6-13H2,1H3
InChIKeyBAODMEIJYQDEOS-UHFFFAOYSA-N
XLogP0.12
TPSA76.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide (CID 55913503) is N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide is CN(CCC#N)S(=O)(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is BAODMEIJYQDEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3S/c1-16(6-2-5-15)22(19,20)18-7-3-14(4-8-18)13-17-9-11-21-12-10-17/h14H,2-4,6-13H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide?
N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 0.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 55913503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).