[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine

C14H25N3S — CID 62409551

IUPAC[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2cc(C)nn2C)C1
InChIInChI=1S/C14H25N3S/c1-4-11-5-6-12(9-15)13(8-11)18-14-7-10(2)16-17(14)3/h7,11-13H,4-6,8-9,15H2,1-3H3
InChIKeyOPBOXSWBMFPUGM-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.97
Rot. Bonds4

About [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine

[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine (PubChem CID 62409551) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine
PubChem CID62409551
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2cc(C)nn2C)C1
InChIInChI=1S/C14H25N3S/c1-4-11-5-6-12(9-15)13(8-11)18-14-7-10(2)16-17(14)3/h7,11-13H,4-6,8-9,15H2,1-3H3
InChIKeyOPBOXSWBMFPUGM-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine (CID 62409551) is [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(Sc2cc(C)nn2C)C1.
What is the InChIKey of [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine?
The InChIKey is OPBOXSWBMFPUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-11-5-6-12(9-15)13(8-11)18-14-7-10(2)16-17(14)3/h7,11-13H,4-6,8-9,15H2,1-3H3.
What are the key properties of [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine?
[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 62409551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).