1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine

C10H14ClNS — CID 80529179

IUPAC1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
SMILESCNC(c1sccc1Cl)C1CCC1
InChIInChI=1S/C10H14ClNS/c1-12-9(7-3-2-4-7)10-8(11)5-6-13-10/h5-7,9,12H,2-4H2,1H3
InChIKeyRVJVCGDOVCKHRD-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.46
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine

1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine (PubChem CID 80529179) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
PubChem CID80529179
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
SMILESCNC(c1sccc1Cl)C1CCC1
InChIInChI=1S/C10H14ClNS/c1-12-9(7-3-2-4-7)10-8(11)5-6-13-10/h5-7,9,12H,2-4H2,1H3
InChIKeyRVJVCGDOVCKHRD-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 107360141
1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine
CID 130594687
3-chloro-2-[chloro(cyclobutyl)methyl]thiophene
CID 80530412
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154901
1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 107359746
3-chloro-2-[chloro(cyclooctyl)methyl]thiophene
CID 80530285
1-(3-chlorothiophen-2-yl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylmethanamine
CID 105012018
[(3-chlorothiophen-2-yl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105313020
1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102832026
1-cyclopropyl-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 104994165
[(3-chlorothiophen-2-yl)-(3-methylcyclopentyl)methyl]hydrazine
CID 107362061
N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107361656

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine (CID 80529179) is 1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine is CNC(c1sccc1Cl)C1CCC1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine?
The InChIKey is RVJVCGDOVCKHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-12-9(7-3-2-4-7)10-8(11)5-6-13-10/h5-7,9,12H,2-4H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine?
1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine has a molecular weight of 215.75 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine is sourced from PubChem (CID 80529179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).