cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone

C13H24N2O3S — CID 53016388

IUPACcyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCCS(=O)(=O)N1CCCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-2-19(17,18)15-9-5-8-14(10-11-15)13(16)12-6-3-4-7-12/h12H,2-11H2,1H3
InChIKeyVIIYEBGOIREZBA-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.06
Rot. Bonds3

About cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone

cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone (PubChem CID 53016388) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
PubChem CID53016388
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Namecyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCCS(=O)(=O)N1CCCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-2-19(17,18)15-9-5-8-14(10-11-15)13(16)12-6-3-4-7-12/h12H,2-11H2,1H3
InChIKeyVIIYEBGOIREZBA-UHFFFAOYSA-N
XLogP1.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone (CID 53016388) is cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone is CCS(=O)(=O)N1CCCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone?
The InChIKey is VIIYEBGOIREZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-2-19(17,18)15-9-5-8-14(10-11-15)13(16)12-6-3-4-7-12/h12H,2-11H2,1H3.
What are the key properties of cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone?
cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone has a molecular weight of 288.41 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 53016388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).