N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide

C11H22N2O4S — CID 70724792

IUPACN-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide
SMILESCC[C@H]1COCCN1C(=O)CCN(C)S(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-4-10-9-17-8-7-13(10)11(14)5-6-12(2)18(3,15)16/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyDDJQNYLAQFQPLB-JTQLQIEISA-N
MW278.37 g/mol
LogP-0.09
Rot. Bonds5

About N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide

N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide (PubChem CID 70724792) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide
PubChem CID70724792
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide
SMILESCC[C@H]1COCCN1C(=O)CCN(C)S(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-4-10-9-17-8-7-13(10)11(14)5-6-12(2)18(3,15)16/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyDDJQNYLAQFQPLB-JTQLQIEISA-N
XLogP-0.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide (CID 70724792) is N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide is CC[C@H]1COCCN1C(=O)CCN(C)S(C)(=O)=O.
What is the InChIKey of N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide?
The InChIKey is DDJQNYLAQFQPLB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-10-9-17-8-7-13(10)11(14)5-6-12(2)18(3,15)16/h10H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide?
N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70724792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).