N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide

C14H23N3O3S — CID 126810877

IUPACN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide
SMILESC[C@@H]1CN(CCN(C)S(=O)(=O)c2cccnc2)C[C@H](C)O1
InChIInChI=1S/C14H23N3O3S/c1-12-10-17(11-13(2)20-12)8-7-16(3)21(18,19)14-5-4-6-15-9-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3/t12-,13+
InChIKeyRDSZKPHGRQYGSJ-BETUJISGSA-N
MW313.42 g/mol
LogP0.81
Rot. Bonds5

About N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide

N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide (PubChem CID 126810877) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide
PubChem CID126810877
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide
SMILESC[C@@H]1CN(CCN(C)S(=O)(=O)c2cccnc2)C[C@H](C)O1
InChIInChI=1S/C14H23N3O3S/c1-12-10-17(11-13(2)20-12)8-7-16(3)21(18,19)14-5-4-6-15-9-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3/t12-,13+
InChIKeyRDSZKPHGRQYGSJ-BETUJISGSA-N
XLogP0.81
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide (CID 126810877) is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide is C[C@@H]1CN(CCN(C)S(=O)(=O)c2cccnc2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is RDSZKPHGRQYGSJ-BETUJISGSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-12-10-17(11-13(2)20-12)8-7-16(3)21(18,19)14-5-4-6-15-9-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3/t12-,13+.
What are the key properties of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide?
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 126810877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).