(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

C15H23NO2S — CID 104804592

IUPAC(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESCc1ccoc1C(N)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H23NO2S/c1-11-2-6-17-14(11)13(16)12-3-7-18-15(10-12)4-8-19-9-5-15/h2,6,12-13H,3-5,7-10,16H2,1H3
InChIKeyBSTINMMBBCOBQE-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.28
Rot. Bonds2

About (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 104804592) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
PubChem CID104804592
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESCc1ccoc1C(N)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H23NO2S/c1-11-2-6-17-14(11)13(16)12-3-7-18-15(10-12)4-8-19-9-5-15/h2,6,12-13H,3-5,7-10,16H2,1H3
InChIKeyBSTINMMBBCOBQE-UHFFFAOYSA-N
XLogP3.28
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 104800791
(2-methyl-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106755669
(4-bromo-3-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018094
(5-ethylthiophen-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018081
(3-chloro-2-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 107102855
(2-bromo-4-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018090
(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 104800788
(S)-cyclopropyl-(3-methylfuran-2-yl)methanamine
CID 130706800
(2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79914958
(3,5-difluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79908412
(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104789677
N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 104804989

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (CID 104804592) is (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is Cc1ccoc1C(N)C1CCOC2(CCSCC2)C1.
What is the InChIKey of (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is BSTINMMBBCOBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-2-6-17-14(11)13(16)12-3-7-18-15(10-12)4-8-19-9-5-15/h2,6,12-13H,3-5,7-10,16H2,1H3.
What are the key properties of (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 281.42 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 104804592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).