3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide

C14H21N3O5S — CID 91792493

IUPAC3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
SMILESCS(=O)(=O)NCCC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1
InChIInChI=1S/C14H21N3O5S/c1-23(19,20)16-8-5-13(18)17-11-10-21-9-6-12(11)22-14-4-2-3-7-15-14/h2-4,7,11-12,16H,5-6,8-10H2,1H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyMIKPKGBQTDVEIH-VXGBXAGGSA-N
MW343.41 g/mol
LogP-0.33
Rot. Bonds7

About 3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide

3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide (PubChem CID 91792493) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
PubChem CID91792493
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
SMILESCS(=O)(=O)NCCC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1
InChIInChI=1S/C14H21N3O5S/c1-23(19,20)16-8-5-13(18)17-11-10-21-9-6-12(11)22-14-4-2-3-7-15-14/h2-4,7,11-12,16H,5-6,8-10H2,1H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyMIKPKGBQTDVEIH-VXGBXAGGSA-N
XLogP-0.33
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91766386
3-(methanesulfonamido)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide
CID 91789955
1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea
CID 91777188
N-[2-oxo-2-[(4-pyridin-2-yloxyoxan-3-yl)amino]ethyl]benzamide
CID 156608743
2-phenylmethoxy-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91761107
2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91783421
N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
CID 91790643
4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide
CID 91786651
N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
CID 91773229
1-phenyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]cyclopropane-1-carboxamide
CID 91795536
5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91798306
5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide
CID 91762397

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide (CID 91792493) is 3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide is CS(=O)(=O)NCCC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1.
What is the InChIKey of 3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide?
The InChIKey is MIKPKGBQTDVEIH-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-23(19,20)16-8-5-13(18)17-11-10-21-9-6-12(11)22-14-4-2-3-7-15-14/h2-4,7,11-12,16H,5-6,8-10H2,1H3,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of 3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide?
3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide has a molecular weight of 343.41 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide is sourced from PubChem (CID 91792493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).