1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine

C12H23NS — CID 105187447

IUPAC1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)C1CCC1
InChIInChI=1S/C12H23NS/c1-13-12(11-3-2-4-11)9-10-5-7-14-8-6-10/h10-13H,2-9H2,1H3
InChIKeyWOVYIMPGRSPRHH-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.91
Rot. Bonds4

About 1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine

1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine (PubChem CID 105187447) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine
PubChem CID105187447
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)C1CCC1
InChIInChI=1S/C12H23NS/c1-13-12(11-3-2-4-11)9-10-5-7-14-8-6-10/h10-13H,2-9H2,1H3
InChIKeyWOVYIMPGRSPRHH-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dicyclopentyl-N-methylethanamine
CID 62601762
2-cyclohexyl-1-cyclopropyl-N-methylethanamine
CID 62600401
N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine
CID 105187409
1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105138955
1-cyclobutyl-N-methyl-2-(oxan-4-yl)ethanamine
CID 64986800
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine
CID 105166263
[1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethyl]hydrazine
CID 105313803
2-cyclopropyl-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65423192
[1-(4-methylcyclohexyl)-2-(thian-4-yl)ethyl]hydrazine
CID 105311924
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115855813
2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine
CID 80626908
1-cyclopentyl-N-methyl-2-piperidin-3-ylethanamine
CID 116951767

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine?
The IUPAC name of 1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine (CID 105187447) is 1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine?
The canonical SMILES for 1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine is CNC(CC1CCSCC1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine?
The InChIKey is WOVYIMPGRSPRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-13-12(11-3-2-4-11)9-10-5-7-14-8-6-10/h10-13H,2-9H2,1H3.
What are the key properties of 1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine?
1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine has a molecular weight of 213.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105187447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).