1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine

C16H23NOS — CID 117445004

IUPAC1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine
SMILESNC1(c2ccc(OC3CCSCC3)cc2)CCCC1
InChIInChI=1S/C16H23NOS/c17-16(9-1-2-10-16)13-3-5-14(6-4-13)18-15-7-11-19-12-8-15/h3-6,15H,1-2,7-12,17H2
InChIKeyCFQHACWDRSHGFX-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.69
Rot. Bonds3

About 1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine

1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine (PubChem CID 117445004) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine
PubChem CID117445004
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine
SMILESNC1(c2ccc(OC3CCSCC3)cc2)CCCC1
InChIInChI=1S/C16H23NOS/c17-16(9-1-2-10-16)13-3-5-14(6-4-13)18-15-7-11-19-12-8-15/h3-6,15H,1-2,7-12,17H2
InChIKeyCFQHACWDRSHGFX-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopentyloxyphenyl)cyclopentan-1-amine
CID 82294898
1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117440934
1-[3-(thiolan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117413849
1-[4-(thian-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117446527
[1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117470986
4-[4-(1-isocyanatocyclopropyl)phenoxy]thiane
CID 117440692
4-(4-bromophenoxy)thiane
CID 134090229
4-[4-[(E)-2-phenylethenyl]phenoxy]thiane
CID 134126076
4-(4-methylsulfanylphenoxy)thiane
CID 134106830
[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
CID 117402976
O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine
CID 117386767
1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117413869

Frequently Asked Questions

What is the IUPAC name of 1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine (CID 117445004) is 1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine is NC1(c2ccc(OC3CCSCC3)cc2)CCCC1.
What is the InChIKey of 1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine?
The InChIKey is CFQHACWDRSHGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c17-16(9-1-2-10-16)13-3-5-14(6-4-13)18-15-7-11-19-12-8-15/h3-6,15H,1-2,7-12,17H2.
What are the key properties of 1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine?
1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117445004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).