N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide

C18H29N3O3S — CID 129341023

IUPACN-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide
SMILESCOc1ccnc(CN2CCC[C@@H](N(C3CCC3)S(C)(=O)=O)CC2)c1
InChIInChI=1S/C18H29N3O3S/c1-24-18-8-10-19-15(13-18)14-20-11-4-7-17(9-12-20)21(25(2,22)23)16-5-3-6-16/h8,10,13,16-17H,3-7,9,11-12,14H2,1-2H3/t17-/m1/s1
InChIKeyQWSNNZCBSLFKSD-QGZVFWFLSA-N
MW367.52 g/mol
LogP2.26
Rot. Bonds6

About N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide

N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide (PubChem CID 129341023) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide
PubChem CID129341023
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide
SMILESCOc1ccnc(CN2CCC[C@@H](N(C3CCC3)S(C)(=O)=O)CC2)c1
InChIInChI=1S/C18H29N3O3S/c1-24-18-8-10-19-15(13-18)14-20-11-4-7-17(9-12-20)21(25(2,22)23)16-5-3-6-16/h8,10,13,16-17H,3-7,9,11-12,14H2,1-2H3/t17-/m1/s1
InChIKeyQWSNNZCBSLFKSD-QGZVFWFLSA-N
XLogP2.26
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide with MolForge

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Related Compounds

4-[(4-methoxy-2-pyridinyl)methyl]-1,4-thiazepane
CID 75503314
2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine
CID 135105893
(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95402453
(2R,3S)-2-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128978853
4-methoxy-2-(methylsulfonylmethyl)pyridine
CID 130621299
(3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95873944
1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid
CID 167924639
(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 124750616
N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide
CID 129007847
(3R)-3-(2-methoxyethyl)-1-[(4-methoxy-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 97146296
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346524
1-[(4-ethoxy-2-pyridinyl)methyl]piperazine
CID 83890072

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide?
The IUPAC name of N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide (CID 129341023) is N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide.
What is the SMILES notation for N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide?
The canonical SMILES for N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide is COc1ccnc(CN2CCC[C@@H](N(C3CCC3)S(C)(=O)=O)CC2)c1.
What is the InChIKey of N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide?
The InChIKey is QWSNNZCBSLFKSD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-24-18-8-10-19-15(13-18)14-20-11-4-7-17(9-12-20)21(25(2,22)23)16-5-3-6-16/h8,10,13,16-17H,3-7,9,11-12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide?
N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide is sourced from PubChem (CID 129341023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).