N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane

C15H34N2O3S — CID 178004297

IUPACN-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane
SMILESCC.CCCCN1CCOC(CN(C)S(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H28N2O3S.C2H6/c1-5-6-7-15-8-9-18-13(11-15)10-14(4)19(16,17)12(2)3;1-2/h12-13H,5-11H2,1-4H3;1-2H3
InChIKeyMQHIDDGLRIKTEI-UHFFFAOYSA-N
MW322.52 g/mol
LogP2.18
Rot. Bonds7

About N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane

N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane (PubChem CID 178004297) has the molecular formula C15H34N2O3S and a molecular weight of 322.52 g/mol. Its IUPAC name is N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane.

Molecular Properties

Compound NameN-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane
PubChem CID178004297
Molecular FormulaC15H34N2O3S
Molecular Weight322.52 g/mol
Exact Mass322.23
IUPAC NameN-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane
SMILESCC.CCCCN1CCOC(CN(C)S(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H28N2O3S.C2H6/c1-5-6-7-15-8-9-18-13(11-15)10-14(4)19(16,17)12(2)3;1-2/h12-13H,5-11H2,1-4H3;1-2H3
InChIKeyMQHIDDGLRIKTEI-UHFFFAOYSA-N
XLogP2.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane
CID 169213965
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane
CID 156795217
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
CID 156795218
N,2-dimethyl-N-[(4-pentylmorpholin-2-yl)methyl]propanamide
CID 163400251
N-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]ethanamine
CID 138727106
N,2-dimethyl-N-[(4-propylmorpholin-2-yl)methyl]propanamide
CID 164906952
N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine
CID 170952081
3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine
CID 157048783
4-butyl-2-(propoxymethyl)morpholine;ethane
CID 169214166
4-dodecyl-2-ethylmorpholine
CID 4616518
N,2-dimethyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 138727851

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane?
The IUPAC name of N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane (CID 178004297) is N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane.
What is the SMILES notation for N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane?
The canonical SMILES for N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane is CC.CCCCN1CCOC(CN(C)S(=O)(=O)C(C)C)C1.
What is the InChIKey of N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane?
The InChIKey is MQHIDDGLRIKTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S.C2H6/c1-5-6-7-15-8-9-18-13(11-15)10-14(4)19(16,17)12(2)3;1-2/h12-13H,5-11H2,1-4H3;1-2H3.
What are the key properties of N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane?
N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane has a molecular weight of 322.52 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane is sourced from PubChem (CID 178004297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).