N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide

C12H19N3O4S2 — CID 154784732

IUPACN-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide
SMILESCCN(c1cccnc1)S(=O)(=O)CC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C12H19N3O4S2/c1-3-15(12-5-4-6-13-7-12)21(18,19)10-11-8-14(9-11)20(2,16)17/h4-7,11H,3,8-10H2,1-2H3
InChIKeyKJNZQALYZLEMIA-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.13
Rot. Bonds6

About N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide

N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide (PubChem CID 154784732) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide
PubChem CID154784732
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC NameN-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide
SMILESCCN(c1cccnc1)S(=O)(=O)CC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C12H19N3O4S2/c1-3-15(12-5-4-6-13-7-12)21(18,19)10-11-8-14(9-11)20(2,16)17/h4-7,11H,3,8-10H2,1-2H3
InChIKeyKJNZQALYZLEMIA-UHFFFAOYSA-N
XLogP0.13
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
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(1S,5R)-3-methylsulfonyl-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonane
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1-methylsulfonyl-4-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 83290659
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CID 99607094
1-methylsulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium
CID 4522638
4-ethyl-2-[methyl(pyridin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511846
3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 95845766
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide
CID 106936457
2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 99607064
4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 50945648

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide?
The IUPAC name of N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide (CID 154784732) is N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide.
What is the SMILES notation for N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide?
The canonical SMILES for N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide is CCN(c1cccnc1)S(=O)(=O)CC1CN(S(C)(=O)=O)C1.
What is the InChIKey of N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide?
The InChIKey is KJNZQALYZLEMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-3-15(12-5-4-6-13-7-12)21(18,19)10-11-8-14(9-11)20(2,16)17/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide?
N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide has a molecular weight of 333.44 g/mol, XLogP of 0.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide is sourced from PubChem (CID 154784732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).