N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide

C14H29N3O3S — CID 123941554

IUPACN-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCN1CCOCC1)C1CCNCC1
InChIInChI=1S/C14H29N3O3S/c1-2-13-21(18,19)17(14-3-5-15-6-4-14)8-7-16-9-11-20-12-10-16/h14-15H,2-13H2,1H3
InChIKeyBMWKXYPGKSPLKR-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.11
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide

N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide (PubChem CID 123941554) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide
PubChem CID123941554
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCN1CCOCC1)C1CCNCC1
InChIInChI=1S/C14H29N3O3S/c1-2-13-21(18,19)17(14-3-5-15-6-4-14)8-7-16-9-11-20-12-10-16/h14-15H,2-13H2,1H3
InChIKeyBMWKXYPGKSPLKR-UHFFFAOYSA-N
XLogP0.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide (CID 123941554) is N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide is CCCS(=O)(=O)N(CCN1CCOCC1)C1CCNCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide?
The InChIKey is BMWKXYPGKSPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-2-13-21(18,19)17(14-3-5-15-6-4-14)8-7-16-9-11-20-12-10-16/h14-15H,2-13H2,1H3.
What are the key properties of N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide?
N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide is sourced from PubChem (CID 123941554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).