(5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

C15H22ClNOS — CID 105016183

IUPAC(5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESNC(c1ccc(Cl)s1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H22ClNOS/c16-13-5-4-12(19-13)14(17)11-6-9-18-15(10-11)7-2-1-3-8-15/h4-5,11,14H,1-3,6-10,17H2
InChIKeyXOPWRXSZFNNUHP-UHFFFAOYSA-N
MW299.87 g/mol
LogP4.53
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

(5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 105016183) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID105016183
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name(5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESNC(c1ccc(Cl)s1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H22ClNOS/c16-13-5-4-12(19-13)14(17)11-6-9-18-15(10-11)7-2-1-3-8-15/h4-5,11,14H,1-3,6-10,17H2
InChIKeyXOPWRXSZFNNUHP-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine 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

(5-bromothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915556
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016692
(3-chloro-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016187
(5-ethylthiophen-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018081
5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 105010365
(4-chloro-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 107994506
(2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 114031677
(4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79922225
(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915288
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016808
(3-chloro-4-iodophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 103215917

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (CID 105016183) is (5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is NC(c1ccc(Cl)s1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is XOPWRXSZFNNUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c16-13-5-4-12(19-13)14(17)11-6-9-18-15(10-11)7-2-1-3-8-15/h4-5,11,14H,1-3,6-10,17H2.
What are the key properties of (5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
(5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 299.87 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 105016183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).