[1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol

C16H21Cl2NOS — CID 79638931

IUPAC[1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(Sc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H21Cl2NOS/c17-14-6-5-12(8-15(14)18)21-13-2-1-7-16(9-13,10-20)19-11-3-4-11/h5-6,8,11,13,19-20H,1-4,7,9-10H2
InChIKeyXNAVSZQEBHYTKK-UHFFFAOYSA-N
MW346.32 g/mol
LogP4.51
Rot. Bonds5

About [1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol

[1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol (PubChem CID 79638931) has the molecular formula C16H21Cl2NOS and a molecular weight of 346.32 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol
PubChem CID79638931
Molecular FormulaC16H21Cl2NOS
Molecular Weight346.32 g/mol
Exact Mass345.07
IUPAC Name[1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(Sc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H21Cl2NOS/c17-14-6-5-12(8-15(14)18)21-13-2-1-7-16(9-13,10-20)19-11-3-4-11/h5-6,8,11,13,19-20H,1-4,7,9-10H2
InChIKeyXNAVSZQEBHYTKK-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol
CID 79640361
[3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79644568
1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635792
[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(methylamino)cyclohexyl]methanol
CID 115479484
[3-(3-methylphenyl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640289
[1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol
CID 107784575
[1-amino-3-(4-chlorophenyl)sulfanylcyclohexyl]methanol
CID 79640773
[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638793
[1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol
CID 107764814
N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine
CID 117032940
[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79646307
[1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol
CID 79634509

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol (CID 79638931) is [1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol is OCC1(NC2CC2)CCCC(Sc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol?
The InChIKey is XNAVSZQEBHYTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NOS/c17-14-6-5-12(8-15(14)18)21-13-2-1-7-16(9-13,10-20)19-11-3-4-11/h5-6,8,11,13,19-20H,1-4,7,9-10H2.
What are the key properties of [1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol?
[1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol has a molecular weight of 346.32 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol is sourced from PubChem (CID 79638931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).