4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine

C14H24N2O2S — CID 65095498

IUPAC4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1ccccn1
InChIInChI=1S/C14H24N2O2S/c1-3-10-15-14(13-8-5-6-11-16-13)9-7-12-19(17,18)4-2/h5-6,8,11,14-15H,3-4,7,9-10,12H2,1-2H3
InChIKeyUGEVATAAZVRVOD-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.34
Rot. Bonds9

About 4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine

4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine (PubChem CID 65095498) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
PubChem CID65095498
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1ccccn1
InChIInChI=1S/C14H24N2O2S/c1-3-10-15-14(13-8-5-6-11-16-13)9-7-12-19(17,18)4-2/h5-6,8,11,14-15H,3-4,7,9-10,12H2,1-2H3
InChIKeyUGEVATAAZVRVOD-UHFFFAOYSA-N
XLogP2.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 65095907
N-propyl-1-pyridin-2-yloct-7-en-1-amine
CID 107008851
4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 65200338
4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105152621
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
3-methyl-N-(1-pyridin-2-ylbutyl)butan-1-amine
CID 115872088
N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine
CID 91082379
N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine
CID 115872086
4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine
CID 65095394
1-(2-methylpyrimidin-4-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115530977
N-ethyl-5-methyl-1-pyridin-2-ylhexan-1-amine
CID 83161018

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine (CID 65095498) is 4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine is CCCNC(CCCS(=O)(=O)CC)c1ccccn1.
What is the InChIKey of 4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine?
The InChIKey is UGEVATAAZVRVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-10-15-14(13-8-5-6-11-16-13)9-7-12-19(17,18)4-2/h5-6,8,11,14-15H,3-4,7,9-10,12H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine?
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine has a molecular weight of 284.42 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 65095498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).