1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol

C14H21NOS — CID 65212444

IUPAC1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol
SMILESCC(N)c1ccc(SCC2(O)CCCC2)cc1
InChIInChI=1S/C14H21NOS/c1-11(15)12-4-6-13(7-5-12)17-10-14(16)8-2-3-9-14/h4-7,11,16H,2-3,8-10,15H2,1H3
InChIKeyFLQMMMVFPBVPLD-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.10
Rot. Bonds4

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

1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol (PubChem CID 65212444) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol
PubChem CID65212444
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol
SMILESCC(N)c1ccc(SCC2(O)CCCC2)cc1
InChIInChI=1S/C14H21NOS/c1-11(15)12-4-6-13(7-5-12)17-10-14(16)8-2-3-9-14/h4-7,11,16H,2-3,8-10,15H2,1H3
InChIKeyFLQMMMVFPBVPLD-UHFFFAOYSA-N
XLogP3.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol
CID 65212500
1-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 13448038
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol
CID 81043411
1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol
CID 79148826
methyl 2-[1-[[4-[(1S)-1-aminoethyl]phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107777523
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
CID 113386912
1-[(2-amino-5-methylphenyl)sulfanylmethyl]cyclopentan-1-ol
CID 79143326
1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 79004884
1-[(2-amino-5-chlorophenyl)sulfanylmethyl]cyclohexan-1-ol
CID 79527980
1-(2-aminopropylsulfanylmethyl)cyclopentan-1-ol
CID 66219973
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol (CID 65212444) is 1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol is CC(N)c1ccc(SCC2(O)CCCC2)cc1.
What is the InChIKey of 1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol?
The InChIKey is FLQMMMVFPBVPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(15)12-4-6-13(7-5-12)17-10-14(16)8-2-3-9-14/h4-7,11,16H,2-3,8-10,15H2,1H3.
What are the key properties of 1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol?
1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol has a molecular weight of 251.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol is sourced from PubChem (CID 65212444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).