azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone

C16H30N2O3S — CID 56798256

IUPACazocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCCCCCC1
InChIInChI=1S/C16H30N2O3S/c1-2-14-22(20,21)18-13-9-6-10-15(18)16(19)17-11-7-4-3-5-8-12-17/h15H,2-14H2,1H3
InChIKeyQWXSDOUKYNFEQM-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.37
Rot. Bonds4

About azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone

azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone (PubChem CID 56798256) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
PubChem CID56798256
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Nameazocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCCCCCC1
InChIInChI=1S/C16H30N2O3S/c1-2-14-22(20,21)18-13-9-6-10-15(18)16(19)17-11-7-4-3-5-8-12-17/h15H,2-14H2,1H3
InChIKeyQWXSDOUKYNFEQM-UHFFFAOYSA-N
XLogP2.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612
2-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55993696
N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55992321
N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55447192
(2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone
CID 87046016
3-methyl-1-(1-propylsulfonylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256351
cycloheptyl (2R)-1-propylsulfonylpiperidine-2-carboxylate
CID 97027992
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 55563956
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
(4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone
CID 55996730
(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 114680203
(3aS,6aR)-2-(1-propylsulfonylpiperidine-2-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683356

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone?
The IUPAC name of azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone (CID 56798256) is azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone.
What is the SMILES notation for azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone?
The canonical SMILES for azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone is CCCS(=O)(=O)N1CCCCC1C(=O)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone?
The InChIKey is QWXSDOUKYNFEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-2-14-22(20,21)18-13-9-6-10-15(18)16(19)17-11-7-4-3-5-8-12-17/h15H,2-14H2,1H3.
What are the key properties of azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone?
azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone has a molecular weight of 330.49 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone is sourced from PubChem (CID 56798256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).