N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine

C11H19N3O2S — CID 102923316

IUPACN-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)c1cncnc1
InChIInChI=1S/C11H19N3O2S/c1-3-14-11(5-4-6-17(2,15)16)10-7-12-9-13-8-10/h7-9,11,14H,3-6H2,1-2H3
InChIKeySPPXLOOOTKCMNZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.95
Rot. Bonds7

About N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine

N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine (PubChem CID 102923316) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
PubChem CID102923316
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)c1cncnc1
InChIInChI=1S/C11H19N3O2S/c1-3-14-11(5-4-6-17(2,15)16)10-7-12-9-13-8-10/h7-9,11,14H,3-6H2,1-2H3
InChIKeySPPXLOOOTKCMNZ-UHFFFAOYSA-N
XLogP0.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-methylsulfonyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115820906
N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine
CID 63192640
1-(3-ethoxyphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 63192449
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 105112925
N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113033
4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923473
N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 65095551
N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine
CID 63222521
1-(2,3-dimethylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820292
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917
N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine
CID 102923511
1-(5-bromo-2-methylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820342

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine?
The IUPAC name of N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine (CID 102923316) is N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine?
The canonical SMILES for N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine is CCNC(CCCS(C)(=O)=O)c1cncnc1.
What is the InChIKey of N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine?
The InChIKey is SPPXLOOOTKCMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-14-11(5-4-6-17(2,15)16)10-7-12-9-13-8-10/h7-9,11,14H,3-6H2,1-2H3.
What are the key properties of N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine?
N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine has a molecular weight of 257.36 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine is sourced from PubChem (CID 102923316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).