N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide

C8H18N2O3S — CID 20656529

IUPACN-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide
SMILESCC1COCCN1CCNS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-8-7-13-6-5-10(8)4-3-9-14(2,11)12/h8-9H,3-7H2,1-2H3
InChIKeyDVNZRYTVULDPND-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.74
Rot. Bonds4

About N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide

N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide (PubChem CID 20656529) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide
PubChem CID20656529
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide
SMILESCC1COCCN1CCNS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-8-7-13-6-5-10(8)4-3-9-14(2,11)12/h8-9H,3-7H2,1-2H3
InChIKeyDVNZRYTVULDPND-UHFFFAOYSA-N
XLogP-0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide (CID 20656529) is N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide is CC1COCCN1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide?
The InChIKey is DVNZRYTVULDPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-8-7-13-6-5-10(8)4-3-9-14(2,11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide?
N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 20656529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).