azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone

C15H28N2O4S — CID 110335461

IUPACazepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone
SMILESCOCCS(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H28N2O4S/c1-21-12-13-22(19,20)17-10-6-14(7-11-17)15(18)16-8-4-2-3-5-9-16/h14H,2-13H2,1H3
InChIKeyQLZQCYHSSXFGRB-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.08
Rot. Bonds5

About azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone

azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone (PubChem CID 110335461) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone
PubChem CID110335461
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Nameazepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone
SMILESCOCCS(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H28N2O4S/c1-21-12-13-22(19,20)17-10-6-14(7-11-17)15(18)16-8-4-2-3-5-9-16/h14H,2-13H2,1H3
InChIKeyQLZQCYHSSXFGRB-UHFFFAOYSA-N
XLogP1.08
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(2-methoxyethylsulfonyl)piperidine
CID 63396714
1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde
CID 63844849
1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003864
piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3564554
1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003863
(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113003728
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 75537886
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid
CID 112562206
N-(2-methoxyethyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145922
ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate
CID 55173077
N-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51072787

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone (CID 110335461) is azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone is COCCS(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone?
The InChIKey is QLZQCYHSSXFGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-21-12-13-22(19,20)17-10-6-14(7-11-17)15(18)16-8-4-2-3-5-9-16/h14H,2-13H2,1H3.
What are the key properties of azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone has a molecular weight of 332.47 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 110335461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).