1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C15H22ClNOS — CID 103406702

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCNC(c1scc(C)c1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H22ClNOS/c1-10-9-19-14(12(10)16)13(17-2)11-4-7-18-15(8-11)5-3-6-15/h9,11,13,17H,3-8H2,1-2H3
InChIKeyHVVKGJYSIDSBGP-UHFFFAOYSA-N
MW299.87 g/mol
LogP4.32
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 103406702) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID103406702
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCNC(c1scc(C)c1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H22ClNOS/c1-10-9-19-14(12(10)16)13(17-2)11-4-7-18-15(8-11)5-3-6-15/h9,11,13,17H,3-8H2,1-2H3
InChIKeyHVVKGJYSIDSBGP-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103406022
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170113
1-(3-chloro-4-methylphenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010373
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 106692578
1-(5-iodothiophen-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010075
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169889
1-(3-chlorothiophen-2-yl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylmethanamine
CID 105012018
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79908703
1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016685
N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016176
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105166211

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 103406702) is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine is CNC(c1scc(C)c1Cl)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is HVVKGJYSIDSBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-10-9-19-14(12(10)16)13(17-2)11-4-7-18-15(8-11)5-3-6-15/h9,11,13,17H,3-8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 299.87 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 103406702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).