1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine

C15H21NO2S — CID 117448437

IUPAC1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)ccc1OC1CSC1
InChIInChI=1S/C15H21NO2S/c1-17-14-8-11(15(16)6-2-3-7-15)4-5-13(14)18-12-9-19-10-12/h4-5,8,12H,2-3,6-7,9-10,16H2,1H3
InChIKeyGGAMRSALDJNSRI-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.92
Rot. Bonds4

About 1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine

1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine (PubChem CID 117448437) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine
PubChem CID117448437
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)ccc1OC1CSC1
InChIInChI=1S/C15H21NO2S/c1-17-14-8-11(15(16)6-2-3-7-15)4-5-13(14)18-12-9-19-10-12/h4-5,8,12H,2-3,6-7,9-10,16H2,1H3
InChIKeyGGAMRSALDJNSRI-UHFFFAOYSA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]cyclopentan-1-amine
CID 117496257
1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopropan-1-ol
CID 117384320
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493404
3-[4-(1-isocyanatocyclopentyl)-2-methoxyphenoxy]thietane
CID 117490743
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493405
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117489868
1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
CID 43146596
1-(3,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084119
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117450144
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine (CID 117448437) is 1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine is COc1cc(C2(N)CCCC2)ccc1OC1CSC1.
What is the InChIKey of 1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine?
The InChIKey is GGAMRSALDJNSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-17-14-8-11(15(16)6-2-3-7-15)4-5-13(14)18-12-9-19-10-12/h4-5,8,12H,2-3,6-7,9-10,16H2,1H3.
What are the key properties of 1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine?
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine has a molecular weight of 279.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117448437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).