[3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol

C14H19Cl2NOS — CID 79644568

IUPAC[3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCC(Sc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H19Cl2NOS/c1-2-17-14(9-18)6-5-11(8-14)19-10-3-4-12(15)13(16)7-10/h3-4,7,11,17-18H,2,5-6,8-9H2,1H3
InChIKeyQWLRLSRXPXKTOT-UHFFFAOYSA-N
MW320.28 g/mol
LogP3.98
Rot. Bonds5

About [3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol

[3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol (PubChem CID 79644568) has the molecular formula C14H19Cl2NOS and a molecular weight of 320.28 g/mol. Its IUPAC name is [3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
PubChem CID79644568
Molecular FormulaC14H19Cl2NOS
Molecular Weight320.28 g/mol
Exact Mass319.06
IUPAC Name[3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCC(Sc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H19Cl2NOS/c1-2-17-14(9-18)6-5-11(8-14)19-10-3-4-12(15)13(16)7-10/h3-4,7,11,17-18H,2,5-6,8-9H2,1H3
InChIKeyQWLRLSRXPXKTOT-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-chlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79645308
[1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol
CID 79638931
[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79646307
[3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(propylamino)cyclopentyl]methanol
CID 79644489
[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79647837
[1-(ethylamino)-3-methylsulfanylcyclopentyl]methanol
CID 79646857
[3-(3-methylphenyl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640289
[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol
CID 79640217
3-(3,4-difluorophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79654443
1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635792
[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645559
[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79647604

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol?
The IUPAC name of [3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol (CID 79644568) is [3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol is CCNC1(CO)CCC(Sc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol?
The InChIKey is QWLRLSRXPXKTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NOS/c1-2-17-14(9-18)6-5-11(8-14)19-10-3-4-12(15)13(16)7-10/h3-4,7,11,17-18H,2,5-6,8-9H2,1H3.
What are the key properties of [3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol?
[3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol has a molecular weight of 320.28 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol is sourced from PubChem (CID 79644568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).