N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine

C14H24N2O3S — CID 105027295

IUPACN-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)c1cncc(OC(C)C)c1
InChIInChI=1S/C14H24N2O3S/c1-5-6-16-14(10-20(4,17)18)12-7-13(9-15-8-12)19-11(2)3/h7-9,11,14,16H,5-6,10H2,1-4H3
InChIKeyVIGYLICONJHWSR-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.95
Rot. Bonds8

About N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine

N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 105027295) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine
PubChem CID105027295
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)c1cncc(OC(C)C)c1
InChIInChI=1S/C14H24N2O3S/c1-5-6-16-14(10-20(4,17)18)12-7-13(9-15-8-12)19-11(2)3/h7-9,11,14,16H,5-6,10H2,1-4H3
InChIKeyVIGYLICONJHWSR-UHFFFAOYSA-N
XLogP1.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105176149
N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-amine
CID 105027344
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620
1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
CID 105026088
3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 105176221
N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 105018126
N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105176097
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 116714896
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 105176094
N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105027443
N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 106692900
1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 105026112

Frequently Asked Questions

What is the IUPAC name of N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine (CID 105027295) is N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine is CCCNC(CS(C)(=O)=O)c1cncc(OC(C)C)c1.
What is the InChIKey of N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is VIGYLICONJHWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-6-16-14(10-20(4,17)18)12-7-13(9-15-8-12)19-11(2)3/h7-9,11,14,16H,5-6,10H2,1-4H3.
What are the key properties of N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine?
N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 300.42 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105027295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).