N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide

C13H27N3O3S — CID 114400701

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)CC2CCCNC2)C1
InChIInChI=1S/C13H27N3O3S/c1-2-16-6-7-19-13(10-16)9-15-20(17,18)11-12-4-3-5-14-8-12/h12-15H,2-11H2,1H3
InChIKeyOJJAGHMKBVXYBE-UHFFFAOYSA-N
MW305.44 g/mol
LogP-0.37
Rot. Bonds6

About N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide

N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide (PubChem CID 114400701) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
PubChem CID114400701
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)CC2CCCNC2)C1
InChIInChI=1S/C13H27N3O3S/c1-2-16-6-7-19-13(10-16)9-15-20(17,18)11-12-4-3-5-14-8-12/h12-15H,2-11H2,1H3
InChIKeyOJJAGHMKBVXYBE-UHFFFAOYSA-N
XLogP-0.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 114401404
1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide
CID 128845558
N-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 114400447
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
4-ethyl-2-(2-piperidin-3-ylethoxymethyl)morpholine
CID 79183128
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
CID 114399530
(4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide
CID 161140600
1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
CID 115766883
3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
CID 106085709
[4-(piperidin-3-ylmethylsulfonyl)morpholin-2-yl]methanol
CID 81205073
N-morpholin-4-yl-1-piperidin-3-ylmethanesulfonamide
CID 83026477

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide (CID 114400701) is N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide is CCN1CCOC(CNS(=O)(=O)CC2CCCNC2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is OJJAGHMKBVXYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-2-16-6-7-19-13(10-16)9-15-20(17,18)11-12-4-3-5-14-8-12/h12-15H,2-11H2,1H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 305.44 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 114400701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).