N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide

C14H29N3O3S — CID 120896907

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide
SMILESCOCC1(CNS(=O)(=O)N2CCCCCC2)CCNCC1
InChIInChI=1S/C14H29N3O3S/c1-20-13-14(6-8-15-9-7-14)12-16-21(18,19)17-10-4-2-3-5-11-17/h15-16H,2-13H2,1H3
InChIKeyGTBRDKKDQVRLIK-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.71
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide (PubChem CID 120896907) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide
PubChem CID120896907
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide
SMILESCOCC1(CNS(=O)(=O)N2CCCCCC2)CCNCC1
InChIInChI=1S/C14H29N3O3S/c1-20-13-14(6-8-15-9-7-14)12-16-21(18,19)17-10-4-2-3-5-11-17/h15-16H,2-13H2,1H3
InChIKeyGTBRDKKDQVRLIK-UHFFFAOYSA-N
XLogP0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 120896083
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
CID 120896002
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896587
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide;hydrochloride
CID 120896586
N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 103967074
2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896619
4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride
CID 120896370
2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896019
N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
CID 115362877
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide
CID 115365086

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide (CID 120896907) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide is COCC1(CNS(=O)(=O)N2CCCCCC2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide?
The InChIKey is GTBRDKKDQVRLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-20-13-14(6-8-15-9-7-14)12-16-21(18,19)17-10-4-2-3-5-11-17/h15-16H,2-13H2,1H3.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide is sourced from PubChem (CID 120896907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).