N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine

C10H14ClNS — CID 115765786

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine
SMILESCC1(NCc2ccc(Cl)s2)CCC1
InChIInChI=1S/C10H14ClNS/c1-10(5-2-6-10)12-7-8-3-4-9(11)13-8/h3-4,12H,2,5-7H2,1H3
InChIKeyROMBXFRRMKSGDZ-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.43
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine (PubChem CID 115765786) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine
PubChem CID115765786
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine
SMILESCC1(NCc2ccc(Cl)s2)CCC1
InChIInChI=1S/C10H14ClNS/c1-10(5-2-6-10)12-7-8-3-4-9(11)13-8/h3-4,12H,2,5-7H2,1H3
InChIKeyROMBXFRRMKSGDZ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 61365192
N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365000
1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724290
[1-[(5-chlorothiophen-2-yl)methylamino]cyclopropyl]methanol
CID 115763041
1-(5-chlorothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246177
4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 115758089
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 115435554
N-[(5-chlorothiophen-2-yl)methyl]-1-(3,3-dimethylpiperidin-2-yl)methanamine
CID 114084469
1-(5-chlorothiophen-2-yl)-N-[(1-phenylcyclopropyl)methyl]methanamine
CID 55684111
N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80706144
1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246509
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64570073

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine (CID 115765786) is N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine is CC1(NCc2ccc(Cl)s2)CCC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine?
The InChIKey is ROMBXFRRMKSGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-10(5-2-6-10)12-7-8-3-4-9(11)13-8/h3-4,12H,2,5-7H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine has a molecular weight of 215.75 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine is sourced from PubChem (CID 115765786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).