N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide

C16H25N3O3S — CID 136572679

IUPACN-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide
SMILESCCOc1cccc(N2CCC(NS(=O)(=O)C3(C)CC3)CC2)n1
InChIInChI=1S/C16H25N3O3S/c1-3-22-15-6-4-5-14(17-15)19-11-7-13(8-12-19)18-23(20,21)16(2)9-10-16/h4-6,13,18H,3,7-12H2,1-2H3
InChIKeyWATSGDPJXVTLAD-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.92
Rot. Bonds6

About N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide

N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide (PubChem CID 136572679) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide
PubChem CID136572679
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide
SMILESCCOc1cccc(N2CCC(NS(=O)(=O)C3(C)CC3)CC2)n1
InChIInChI=1S/C16H25N3O3S/c1-3-22-15-6-4-5-14(17-15)19-11-7-13(8-12-19)18-23(20,21)16(2)9-10-16/h4-6,13,18H,3,7-12H2,1-2H3
InChIKeyWATSGDPJXVTLAD-UHFFFAOYSA-N
XLogP1.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]methanol
CID 55212590
N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
CID 63854408
2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine
CID 106838569
2-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
CID 63586487
1-(6-methoxy-2-pyridinyl)-N-propylpiperidin-4-amine
CID 63588941
1-(6-methoxy-2-pyridinyl)-N-methylpiperidin-4-amine
CID 63591617
(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine
CID 104977568
N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide
CID 75477779
2-chloro-1-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 146085937
N-cyclohexyl-1-methylcyclopropane-1-sulfonamide
CID 128542205
2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814350

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide?
The IUPAC name of N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide (CID 136572679) is N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide?
The canonical SMILES for N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide is CCOc1cccc(N2CCC(NS(=O)(=O)C3(C)CC3)CC2)n1.
What is the InChIKey of N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide?
The InChIKey is WATSGDPJXVTLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-22-15-6-4-5-14(17-15)19-11-7-13(8-12-19)18-23(20,21)16(2)9-10-16/h4-6,13,18H,3,7-12H2,1-2H3.
What are the key properties of N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide?
N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 136572679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).