N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide

C14H24N2O4S — CID 70716595

IUPACN-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCC[C@H]1COCCN1Cc1ccc(CN(C)S(C)(=O)=O)o1
InChIInChI=1S/C14H24N2O4S/c1-4-12-11-19-8-7-16(12)10-14-6-5-13(20-14)9-15(2)21(3,17)18/h5-6,12H,4,7-11H2,1-3H3/t12-/m0/s1
InChIKeyMCJPHYHRHJFFET-LBPRGKRZSA-N
MW316.42 g/mol
LogP1.28
Rot. Bonds6

About N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide

N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 70716595) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
PubChem CID70716595
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCC[C@H]1COCCN1Cc1ccc(CN(C)S(C)(=O)=O)o1
InChIInChI=1S/C14H24N2O4S/c1-4-12-11-19-8-7-16(12)10-14-6-5-13(20-14)9-15(2)21(3,17)18/h5-6,12H,4,7-11H2,1-3H3/t12-/m0/s1
InChIKeyMCJPHYHRHJFFET-LBPRGKRZSA-N
XLogP1.28
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide (CID 70716595) is N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide is CC[C@H]1COCCN1Cc1ccc(CN(C)S(C)(=O)=O)o1.
What is the InChIKey of N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is MCJPHYHRHJFFET-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-12-11-19-8-7-16(12)10-14-6-5-13(20-14)9-15(2)21(3,17)18/h5-6,12H,4,7-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70716595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).