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

C11H24N2O3S — CID 70939931

IUPACN-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide
SMILESCCC(C)N1CCOCC1CN(C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-5-10(2)13-6-7-16-9-11(13)8-12(3)17(4,14)15/h10-11H,5-9H2,1-4H3
InChIKeyDMUIEIYWEOXCCY-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.38
Rot. Bonds5

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

N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide (PubChem CID 70939931) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide
PubChem CID70939931
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide
SMILESCCC(C)N1CCOCC1CN(C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-5-10(2)13-6-7-16-9-11(13)8-12(3)17(4,14)15/h10-11H,5-9H2,1-4H3
InChIKeyDMUIEIYWEOXCCY-UHFFFAOYSA-N
XLogP0.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.38
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-methylmethanesulfonamide?
The IUPAC name of N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide (CID 70939931) is N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide is CCC(C)N1CCOCC1CN(C)S(C)(=O)=O.
What is the InChIKey of N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide?
The InChIKey is DMUIEIYWEOXCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-5-10(2)13-6-7-16-9-11(13)8-12(3)17(4,14)15/h10-11H,5-9H2,1-4H3.
What are the key properties of N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide?
N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.38, 5 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-methylmethanesulfonamide is sourced from PubChem (CID 70939931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).