N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

C16H23N3OS — CID 22933733

IUPACN,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCSc1c(OC2CCC(N(C)C)CC2)ccc2[nH]ncc12
InChIInChI=1S/C16H23N3OS/c1-19(2)11-4-6-12(7-5-11)20-15-9-8-14-13(10-17-18-14)16(15)21-3/h8-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyNOPUHSJMSHAQPA-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.54
Rot. Bonds4

About N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (PubChem CID 22933733) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
PubChem CID22933733
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCSc1c(OC2CCC(N(C)C)CC2)ccc2[nH]ncc12
InChIInChI=1S/C16H23N3OS/c1-19(2)11-4-6-12(7-5-11)20-15-9-8-14-13(10-17-18-14)16(15)21-3/h8-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyNOPUHSJMSHAQPA-UHFFFAOYSA-N
XLogP3.54
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
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-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride
CID 18447462
trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine
CID 69428580
N-methyl-N-[(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]aniline
CID 69432381
cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 69434428
3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine
CID 18447529
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;hydrochloride
CID 18447582
[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine
CID 69432427
4-cyclopropyl-5-methylsulfanyl-1H-indazole
CID 167157837
4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine
CID 139677462
2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
CID 18447107

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (CID 22933733) is N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is CSc1c(OC2CCC(N(C)C)CC2)ccc2[nH]ncc12.
What is the InChIKey of N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The InChIKey is NOPUHSJMSHAQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-19(2)11-4-6-12(7-5-11)20-15-9-8-14-13(10-17-18-14)16(15)21-3/h8-12H,4-7H2,1-3H3,(H,17,18).
What are the key properties of N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine has a molecular weight of 305.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 22933733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).