1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol

C16H25NOS — CID 65212500

IUPAC1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol
SMILESCCNC(C)c1ccc(SCC2(O)CCCC2)cc1
InChIInChI=1S/C16H25NOS/c1-3-17-13(2)14-6-8-15(9-7-14)19-12-16(18)10-4-5-11-16/h6-9,13,17-18H,3-5,10-12H2,1-2H3
InChIKeyVYHNHLRHYNOOAA-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.75
Rot. Bonds6

About 1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol

1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol (PubChem CID 65212500) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol
PubChem CID65212500
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol
SMILESCCNC(C)c1ccc(SCC2(O)CCCC2)cc1
InChIInChI=1S/C16H25NOS/c1-3-17-13(2)14-6-8-15(9-7-14)19-12-16(18)10-4-5-11-16/h6-9,13,17-18H,3-5,10-12H2,1-2H3
InChIKeyVYHNHLRHYNOOAA-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol
CID 65212444
1-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 13448038
1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122937
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol
CID 81043411
1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol
CID 79148826
1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
CID 81359958
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631
N-ethyl-1-[4-(3-methylbut-3-enylsulfanyl)phenyl]ethanamine
CID 114476887
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208482
1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
CID 65107204

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol (CID 65212500) is 1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol is CCNC(C)c1ccc(SCC2(O)CCCC2)cc1.
What is the InChIKey of 1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol?
The InChIKey is VYHNHLRHYNOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-17-13(2)14-6-8-15(9-7-14)19-12-16(18)10-4-5-11-16/h6-9,13,17-18H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol?
1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol has a molecular weight of 279.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol is sourced from PubChem (CID 65212500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).