N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine

C14H25N3OS — CID 104515657

IUPACN-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC(C)(C)C)c1nccnc1OC
InChIInChI=1S/C14H25N3OS/c1-6-7-15-11(10-19-14(2,3)4)12-13(18-5)17-9-8-16-12/h8-9,11,15H,6-7,10H2,1-5H3
InChIKeyALRPYWGBERAKRL-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.06
Rot. Bonds7

About N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine

N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine (PubChem CID 104515657) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
PubChem CID104515657
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC(C)(C)C)c1nccnc1OC
InChIInChI=1S/C14H25N3OS/c1-6-7-15-11(10-19-14(2,3)4)12-13(18-5)17-9-8-16-12/h8-9,11,15H,6-7,10H2,1-5H3
InChIKeyALRPYWGBERAKRL-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515656
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
CID 113421622
4-methoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 105178681
N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 105032098
2-ethoxy-1-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
CID 116727206
N-[1-(3-methoxypyrazin-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 104515448
N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105178677
N-[2-(cyclohexen-1-yl)-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 116662144
2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 104515831
1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 104515370
N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65132859
N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923780

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine (CID 104515657) is N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine is CCCNC(CSC(C)(C)C)c1nccnc1OC.
What is the InChIKey of N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine?
The InChIKey is ALRPYWGBERAKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-6-7-15-11(10-19-14(2,3)4)12-13(18-5)17-9-8-16-12/h8-9,11,15H,6-7,10H2,1-5H3.
What are the key properties of N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine?
N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104515657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).