1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine

C14H24N2O2S — CID 82730810

IUPAC1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)c1ncccc1CC
InChIInChI=1S/C14H24N2O2S/c1-4-9-15-13(8-11-19(3,17)18)14-12(5-2)7-6-10-16-14/h6-7,10,13,15H,4-5,8-9,11H2,1-3H3
InChIKeyNXTBYIIVHITWQU-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.12
Rot. Bonds8

About 1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine

1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine (PubChem CID 82730810) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
PubChem CID82730810
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)c1ncccc1CC
InChIInChI=1S/C14H24N2O2S/c1-4-9-15-13(8-11-19(3,17)18)14-12(5-2)7-6-10-16-14/h6-7,10,13,15H,4-5,8-9,11H2,1-3H3
InChIKeyNXTBYIIVHITWQU-UHFFFAOYSA-N
XLogP2.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 114982999
1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine
CID 82740601
1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine
CID 82741096
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172
3-[2-(3-ethyl-2-pyridinyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 82732814
N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 82741722
4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 65095907
1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine
CID 114013829
1-(2-ethylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820254
N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984281
N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 62603574
N-[1-(3-ethyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050759

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine (CID 82730810) is 1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine is CCCNC(CCS(C)(=O)=O)c1ncccc1CC.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine?
The InChIKey is NXTBYIIVHITWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-9-15-13(8-11-19(3,17)18)14-12(5-2)7-6-10-16-14/h6-7,10,13,15H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine?
1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine has a molecular weight of 284.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 82730810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).