N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine

C15H22ClNO2S — CID 106692724

IUPACN-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H22ClNO2S/c1-2-17-13(12-4-6-18-14(12)16)11-3-7-19-15(9-11)5-8-20-10-15/h4,6,11,13,17H,2-3,5,7-10H2,1H3
InChIKeyPTRGZXBOJVNRJT-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.89
Rot. Bonds4

About N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine

N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine (PubChem CID 106692724) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
PubChem CID106692724
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC NameN-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H22ClNO2S/c1-2-17-13(12-4-6-18-14(12)16)11-3-7-19-15(9-11)5-8-20-10-15/h4,6,11,13,17H,2-3,5,7-10H2,1H3
InChIKeyPTRGZXBOJVNRJT-UHFFFAOYSA-N
XLogP3.89
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79908708
N-[(2-chlorofuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692703
N-[(2-bromofuran-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 106858272
1-(2-chlorofuran-3-yl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106692730
N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106755665
N-[(3-methylthiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105017670
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine
CID 79907507
N-[(5-methyl-3-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170790
N-[(2,5-dimethylpyrazol-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170671
[(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860112
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 106692578
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyrimidin-4-yl)methyl]ethanamine
CID 79909740

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine (CID 106692724) is N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine is CCNC(c1ccoc1Cl)C1CCOC2(CCSC2)C1.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine?
The InChIKey is PTRGZXBOJVNRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-2-17-13(12-4-6-18-14(12)16)11-3-7-19-15(9-11)5-8-20-10-15/h4,6,11,13,17H,2-3,5,7-10H2,1H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine?
N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine has a molecular weight of 315.87 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine is sourced from PubChem (CID 106692724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).