4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

C15H21N3OS — CID 18447251

IUPAC4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCCSc1c(OC2CCC(N)CC2)ccc2[nH]ncc12
InChIInChI=1S/C15H21N3OS/c1-2-20-15-12-9-17-18-13(12)7-8-14(15)19-11-5-3-10(16)4-6-11/h7-11H,2-6,16H2,1H3,(H,17,18)
InChIKeyAHYRPCBUVLOWRE-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.32
Rot. Bonds4

About 4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (PubChem CID 18447251) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
PubChem CID18447251
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCCSc1c(OC2CCC(N)CC2)ccc2[nH]ncc12
InChIInChI=1S/C15H21N3OS/c1-2-20-15-12-9-17-18-13(12)7-8-14(15)19-11-5-3-10(16)4-6-11/h7-11H,2-6,16H2,1H3,(H,17,18)
InChIKeyAHYRPCBUVLOWRE-UHFFFAOYSA-N
XLogP3.32
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The IUPAC name of 4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (CID 18447251) is 4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is CCSc1c(OC2CCC(N)CC2)ccc2[nH]ncc12.
What is the InChIKey of 4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The InChIKey is AHYRPCBUVLOWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-20-15-12-9-17-18-13(12)7-8-14(15)19-11-5-3-10(16)4-6-11/h7-11H,2-6,16H2,1H3,(H,17,18).
What are the key properties of 4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 18447251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).