N-benzylsulfonyl-4-butylmorpholine-3-carboxamide

C16H24N2O4S — CID 119051162

IUPACN-benzylsulfonyl-4-butylmorpholine-3-carboxamide
SMILESCCCCN1CCOCC1C(=O)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O4S/c1-2-3-9-18-10-11-22-12-15(18)16(19)17-23(20,21)13-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3,(H,17,19)
InChIKeyWKAQZGYPOMVIMT-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.13
Rot. Bonds7

About N-benzylsulfonyl-4-butylmorpholine-3-carboxamide

N-benzylsulfonyl-4-butylmorpholine-3-carboxamide (PubChem CID 119051162) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-benzylsulfonyl-4-butylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-benzylsulfonyl-4-butylmorpholine-3-carboxamide
PubChem CID119051162
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-benzylsulfonyl-4-butylmorpholine-3-carboxamide
SMILESCCCCN1CCOCC1C(=O)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O4S/c1-2-3-9-18-10-11-22-12-15(18)16(19)17-23(20,21)13-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3,(H,17,19)
InChIKeyWKAQZGYPOMVIMT-UHFFFAOYSA-N
XLogP1.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide
CID 102561694
N-ethyl-4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83101765
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83102944
4-hexylmorpholine-3-carboxamide
CID 174697838
(3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide
CID 99821993
6-[3-(ethylcarbamoyl)morpholin-4-yl]hexanoic acid
CID 83100363
4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide
CID 154778845
4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83098381
4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide
CID 11660454
4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide
CID 83106446
4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide
CID 83097968

Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonyl-4-butylmorpholine-3-carboxamide?
The IUPAC name of N-benzylsulfonyl-4-butylmorpholine-3-carboxamide (CID 119051162) is N-benzylsulfonyl-4-butylmorpholine-3-carboxamide.
What is the SMILES notation for N-benzylsulfonyl-4-butylmorpholine-3-carboxamide?
The canonical SMILES for N-benzylsulfonyl-4-butylmorpholine-3-carboxamide is CCCCN1CCOCC1C(=O)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-benzylsulfonyl-4-butylmorpholine-3-carboxamide?
The InChIKey is WKAQZGYPOMVIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-2-3-9-18-10-11-22-12-15(18)16(19)17-23(20,21)13-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3,(H,17,19).
What are the key properties of N-benzylsulfonyl-4-butylmorpholine-3-carboxamide?
N-benzylsulfonyl-4-butylmorpholine-3-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonyl-4-butylmorpholine-3-carboxamide is sourced from PubChem (CID 119051162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).