cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

C15H21N3OS — CID 69434428

IUPACcis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCCSc1c(O[C@@H]2CCC[C@H](N)C2)ccc2[nH]ncc12
InChIInChI=1S/C15H21N3OS/c1-2-20-15-12-9-17-18-13(12)6-7-14(15)19-11-5-3-4-10(16)8-11/h6-7,9-11H,2-5,8,16H2,1H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyZANMSKDWRVLZGX-WDEREUQCSA-N
MW291.42 g/mol
LogP3.32
Rot. Bonds4

About cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (PubChem CID 69434428) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
PubChem CID69434428
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Namecis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCCSc1c(O[C@@H]2CCC[C@H](N)C2)ccc2[nH]ncc12
InChIInChI=1S/C15H21N3OS/c1-2-20-15-12-9-17-18-13(12)6-7-14(15)19-11-5-3-4-10(16)8-11/h6-7,9-11H,2-5,8,16H2,1H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyZANMSKDWRVLZGX-WDEREUQCSA-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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Related Compounds

4-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447251
3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 69430792
[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine
CID 69432427
trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine
CID 69428580
4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
CID 18447270
3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine
CID 18447529
N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 22933733
trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine
CID 69435918
3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride
CID 18447582
N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447303
3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride
CID 18447462
N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447506

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (CID 69434428) is cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is CCSc1c(O[C@@H]2CCC[C@H](N)C2)ccc2[nH]ncc12.
What is the InChIKey of cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The InChIKey is ZANMSKDWRVLZGX-WDEREUQCSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-20-15-12-9-17-18-13(12)6-7-14(15)19-11-5-3-4-10(16)8-11/h6-7,9-11H,2-5,8,16H2,1H3,(H,17,18)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
cis-(1S,3R)-3-[(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 cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 69434428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).