1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine

C15H21NOS — CID 117413862

IUPAC1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine
SMILESNC1(c2cccc(OC3CCCSC3)c2)CCC1
InChIInChI=1S/C15H21NOS/c16-15(7-3-8-15)12-4-1-5-13(10-12)17-14-6-2-9-18-11-14/h1,4-5,10,14H,2-3,6-9,11,16H2
InChIKeyDMCAFIVJZUOEPZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.30
Rot. Bonds3

About 1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine

1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine (PubChem CID 117413862) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine
PubChem CID117413862
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine
SMILESNC1(c2cccc(OC3CCCSC3)c2)CCC1
InChIInChI=1S/C15H21NOS/c16-15(7-3-8-15)12-4-1-5-13(10-12)17-14-6-2-9-18-11-14/h1,4-5,10,14H,2-3,6-9,11,16H2
InChIKeyDMCAFIVJZUOEPZ-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(thiolan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117413849
1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine
CID 117368744
2-amino-1-[3-(thian-3-yloxy)phenyl]ethanone
CID 115005156
3-[3-(1-isocyanatocyclopentyl)phenoxy]thiolane
CID 117467714
3-[3-(thian-3-yloxy)phenyl]pyrrolidine
CID 117413808
methyl 2-hydroxy-2-[3-(thian-3-yloxy)phenyl]acetate
CID 117453854
1-[1-[4-(thian-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117445027
2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone
CID 117418026
1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine
CID 117445004
3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine
CID 117470997
1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine
CID 174342591
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117448431

Frequently Asked Questions

What is the IUPAC name of 1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine (CID 117413862) is 1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine is NC1(c2cccc(OC3CCCSC3)c2)CCC1.
What is the InChIKey of 1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine?
The InChIKey is DMCAFIVJZUOEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c16-15(7-3-8-15)12-4-1-5-13(10-12)17-14-6-2-9-18-11-14/h1,4-5,10,14H,2-3,6-9,11,16H2.
What are the key properties of 1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine?
1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117413862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).