N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide

C12H26N2O3S — CID 70939956

IUPACN-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide
SMILESCCC(C)N1CCOCC1CN(CC)S(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-5-11(3)14-7-8-17-10-12(14)9-13(6-2)18(4,15)16/h11-12H,5-10H2,1-4H3
InChIKeyKBIGGTDBQZPERT-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.77
Rot. Bonds6

About N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide

N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide (PubChem CID 70939956) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide
PubChem CID70939956
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide
SMILESCCC(C)N1CCOCC1CN(CC)S(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-5-11(3)14-7-8-17-10-12(14)9-13(6-2)18(4,15)16/h11-12H,5-10H2,1-4H3
InChIKeyKBIGGTDBQZPERT-UHFFFAOYSA-N
XLogP0.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide (CID 70939956) is N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide is CCC(C)N1CCOCC1CN(CC)S(C)(=O)=O.
What is the InChIKey of N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide?
The InChIKey is KBIGGTDBQZPERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-5-11(3)14-7-8-17-10-12(14)9-13(6-2)18(4,15)16/h11-12H,5-10H2,1-4H3.
What are the key properties of N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide?
N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 70939956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).