N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide

C16H24N2O3S — CID 128502716

IUPACN-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCOCC1)NC(c1cccnc1)C1CC1
InChIInChI=1S/C16H24N2O3S/c19-22(20,11-7-13-5-9-21-10-6-13)18-16(14-3-4-14)15-2-1-8-17-12-15/h1-2,8,12-14,16,18H,3-7,9-11H2
InChIKeyFPVCSHIWIRRTQF-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.27
Rot. Bonds7

About N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide

N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide (PubChem CID 128502716) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide
PubChem CID128502716
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCOCC1)NC(c1cccnc1)C1CC1
InChIInChI=1S/C16H24N2O3S/c19-22(20,11-7-13-5-9-21-10-6-13)18-16(14-3-4-14)15-2-1-8-17-12-15/h1-2,8,12-14,16,18H,3-7,9-11H2
InChIKeyFPVCSHIWIRRTQF-UHFFFAOYSA-N
XLogP2.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide
CID 100702588
(E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide
CID 117055063
1-methyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 100702823
N-[oxan-4-yl(pyridin-3-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91629864
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65425134
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 100702660
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
2-methoxy-5-[[(R)-oxan-4-yl(pyridin-3-yl)methyl]sulfamoyl]benzamide
CID 100702775
[cyclopropyl(pyridin-3-yl)methyl]hydrazine
CID 89323342
4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide
CID 100702726
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide?
The IUPAC name of N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide (CID 128502716) is N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide.
What is the SMILES notation for N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide?
The canonical SMILES for N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide is O=S(=O)(CCC1CCOCC1)NC(c1cccnc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide?
The InChIKey is FPVCSHIWIRRTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c19-22(20,11-7-13-5-9-21-10-6-13)18-16(14-3-4-14)15-2-1-8-17-12-15/h1-2,8,12-14,16,18H,3-7,9-11H2.
What are the key properties of N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide?
N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide is sourced from PubChem (CID 128502716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).