1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

C14H21N3O4S — CID 135117620

IUPAC1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCC(=O)c1ccc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)nc1
InChIInChI=1S/C14H21N3O4S/c1-10(18)11-4-5-14(15-6-11)16-13-8-21-7-12(13)9-22(19,20)17(2)3/h4-6,12-13H,7-9H2,1-3H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyDQLRKHCNFLTHRA-QWHCGFSZSA-N
MW327.41 g/mol
LogP0.60
Rot. Bonds6

About 1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 135117620) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID135117620
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCC(=O)c1ccc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)nc1
InChIInChI=1S/C14H21N3O4S/c1-10(18)11-4-5-14(15-6-11)16-13-8-21-7-12(13)9-22(19,20)17(2)3/h4-6,12-13H,7-9H2,1-3H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyDQLRKHCNFLTHRA-QWHCGFSZSA-N
XLogP0.60
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide (CID 135117620) is 1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide is CC(=O)c1ccc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)nc1.
What is the InChIKey of 1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is DQLRKHCNFLTHRA-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10(18)11-4-5-14(15-6-11)16-13-8-21-7-12(13)9-22(19,20)17(2)3/h4-6,12-13H,7-9H2,1-3H3,(H,15,16)/t12-,13+/m0/s1.
What are the key properties of 1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 135117620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).