2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine

C15H27N3S — CID 103781504

IUPAC2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCSC1CCCCC1NC(C)c1c(C)nn(C)c1C
InChIInChI=1S/C15H27N3S/c1-10(15-11(2)17-18(4)12(15)3)16-13-8-6-7-9-14(13)19-5/h10,13-14,16H,6-9H2,1-5H3
InChIKeyILARMNSDRYPENC-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.36
Rot. Bonds4

About 2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine

2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 103781504) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID103781504
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCSC1CCCCC1NC(C)c1c(C)nn(C)c1C
InChIInChI=1S/C15H27N3S/c1-10(15-11(2)17-18(4)12(15)3)16-13-8-6-7-9-14(13)19-5/h10,13-14,16H,6-9H2,1-5H3
InChIKeyILARMNSDRYPENC-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine (CID 103781504) is 2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine is CSC1CCCCC1NC(C)c1c(C)nn(C)c1C.
What is the InChIKey of 2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ILARMNSDRYPENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-10(15-11(2)17-18(4)12(15)3)16-13-8-6-7-9-14(13)19-5/h10,13-14,16H,6-9H2,1-5H3.
What are the key properties of 2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103781504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).