4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine

C10H17N3O2S — CID 102923473

IUPAC4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1cncnc1
InChIInChI=1S/C10H17N3O2S/c1-2-16(14,15)5-3-4-10(11)9-6-12-8-13-7-9/h6-8,10H,2-5,11H2,1H3
InChIKeyABMCOYBUYVOHJR-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.69
Rot. Bonds6

About 4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine

4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine (PubChem CID 102923473) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
PubChem CID102923473
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1cncnc1
InChIInChI=1S/C10H17N3O2S/c1-2-16(14,15)5-3-4-10(11)9-6-12-8-13-7-9/h6-8,10H,2-5,11H2,1H3
InChIKeyABMCOYBUYVOHJR-UHFFFAOYSA-N
XLogP0.69
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine
CID 115865315
1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine
CID 106848542
1-(3-chlorophenyl)-4-ethylsulfonylbutan-1-amine
CID 65095643
N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923316
1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 104986238
4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 65098166
4-ethylsulfonyl-1-(3-fluoro-4-methoxyphenyl)butan-1-amine
CID 104986185
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
1-(2,6-difluorophenyl)-4-ethylsulfonylbutan-1-amine
CID 79522023
1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984298
4-ethylsulfonyl-1-(3-propoxyphenyl)butan-1-amine
CID 115865348
4-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 65095963

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine (CID 102923473) is 4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine is CCS(=O)(=O)CCCC(N)c1cncnc1.
What is the InChIKey of 4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine?
The InChIKey is ABMCOYBUYVOHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-16(14,15)5-3-4-10(11)9-6-12-8-13-7-9/h6-8,10H,2-5,11H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine?
4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine is sourced from PubChem (CID 102923473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).