1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone

C9H18N2O3S — CID 46228228

IUPAC1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone
SMILESCCCS(=O)(=O)N1CCCN(C(C)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-3-7-15(13,14)11-6-4-5-10(8-11)9(2)12/h3-8H2,1-2H3
InChIKeyIHHYYKCEKWGEIR-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.24
Rot. Bonds3

About 1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone

1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone (PubChem CID 46228228) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone
PubChem CID46228228
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone
SMILESCCCS(=O)(=O)N1CCCN(C(C)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-3-7-15(13,14)11-6-4-5-10(8-11)9(2)12/h3-8H2,1-2H3
InChIKeyIHHYYKCEKWGEIR-UHFFFAOYSA-N
XLogP0.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone
CID 91921325
1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003864
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
1-(azetidin-1-yl)ethanone
CID 14061673
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192
propane;1-pyrrolidin-1-ylethanone
CID 143432619
(4-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798399
N-(1-propylsulfonylpiperidin-3-yl)acetamide
CID 61384209
1-[3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]ethanone
CID 7355169
1-[4-(cyclobutylmethylsulfonyl)-1,4-diazepan-1-yl]ethanone
CID 71907886
2-phenoxy-1-(4-propylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110798756

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone?
The IUPAC name of 1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone (CID 46228228) is 1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone.
What is the SMILES notation for 1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone?
The canonical SMILES for 1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone is CCCS(=O)(=O)N1CCCN(C(C)=O)C1.
What is the InChIKey of 1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone?
The InChIKey is IHHYYKCEKWGEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-3-7-15(13,14)11-6-4-5-10(8-11)9(2)12/h3-8H2,1-2H3.
What are the key properties of 1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone?
1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone has a molecular weight of 234.32 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone is sourced from PubChem (CID 46228228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).