1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine

C12H18ClNS — CID 115713294

IUPAC1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine
SMILESCCC(NCC1CCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNS/c1-2-10(11-6-7-12(13)15-11)14-8-9-4-3-5-9/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyPMQJERPWGPZWGS-UHFFFAOYSA-N
MW243.80 g/mol
LogP4.24
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine

1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine (PubChem CID 115713294) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine
PubChem CID115713294
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine
SMILESCCC(NCC1CCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNS/c1-2-10(11-6-7-12(13)15-11)14-8-9-4-3-5-9/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyPMQJERPWGPZWGS-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785821
1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 115706228
2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol
CID 115707270
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240776
N-[1-(5-chlorothiophen-2-yl)propyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726040
N-[1-(5-chlorothiophen-2-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716203
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512
N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177424
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513257
N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine (CID 115713294) is 1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine is CCC(NCC1CCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine?
The InChIKey is PMQJERPWGPZWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-2-10(11-6-7-12(13)15-11)14-8-9-4-3-5-9/h6-7,9-10,14H,2-5,8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine?
1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine has a molecular weight of 243.80 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine is sourced from PubChem (CID 115713294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).