1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide

C17H26N2O3S — CID 136558862

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide
SMILESCOCCC(NS(=O)(=O)CC1CC2CCC1C2)c1cccnc1
InChIInChI=1S/C17H26N2O3S/c1-22-8-6-17(15-3-2-7-18-11-15)19-23(20,21)12-16-10-13-4-5-14(16)9-13/h2-3,7,11,13-14,16-17,19H,4-6,8-10,12H2,1H3
InChIKeyZHIYCQRSDLZMTQ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.51
Rot. Bonds8

About 1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide

1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide (PubChem CID 136558862) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide
PubChem CID136558862
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide
SMILESCOCCC(NS(=O)(=O)CC1CC2CCC1C2)c1cccnc1
InChIInChI=1S/C17H26N2O3S/c1-22-8-6-17(15-3-2-7-18-11-15)19-23(20,21)12-16-10-13-4-5-14(16)9-13/h2-3,7,11,13-14,16-17,19H,4-6,8-10,12H2,1H3
InChIKeyZHIYCQRSDLZMTQ-UHFFFAOYSA-N
XLogP2.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide with MolForge

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Related Compounds

[2-(2-bicyclo[2.2.1]heptanyl)-1-pyridin-3-ylethyl]hydrazine
CID 105196324
N-ethyl-3-methoxy-1-pyridin-3-ylpropan-1-amine
CID 61412717
(4-methoxy-1-pyridin-3-ylbutyl)hydrazine
CID 105196232
2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide
CID 131902634
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-ethyl-4-pyridinyl)ethyl]hydrazine
CID 105262326
(4-methylsulfonyloxy-4-pyridin-3-ylbutyl) methanesulfonate
CID 75082846
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087
2-bicyclo[2.2.1]heptanylmethoxy-dimethyl-(pyridin-3-ylmethoxy)silane
CID 91700217
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 79588957
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide (CID 136558862) is 1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide is COCCC(NS(=O)(=O)CC1CC2CCC1C2)c1cccnc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide?
The InChIKey is ZHIYCQRSDLZMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-22-8-6-17(15-3-2-7-18-11-15)19-23(20,21)12-16-10-13-4-5-14(16)9-13/h2-3,7,11,13-14,16-17,19H,4-6,8-10,12H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide?
1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-(3-methoxy-1-pyridin-3-ylpropyl)methanesulfonamide is sourced from PubChem (CID 136558862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).