N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine

C10H14ClNS — CID 130718926

IUPACN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
SMILESC[C@H](NC1CCC1)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNS/c1-7(12-8-3-2-4-8)9-5-6-10(11)13-9/h5-8,12H,2-4H2,1H3/t7-/m0/s1
InChIKeyYRENWOOMTWIMBP-ZETCQYMHSA-N
MW215.75 g/mol
LogP3.60
Rot. Bonds3

About N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine (PubChem CID 130718926) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
PubChem CID130718926
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
SMILESC[C@H](NC1CCC1)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNS/c1-7(12-8-3-2-4-8)9-5-6-10(11)13-9/h5-8,12H,2-4H2,1H3/t7-/m0/s1
InChIKeyYRENWOOMTWIMBP-ZETCQYMHSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine
CID 65074018
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine
CID 75470334
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 43692587
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine
CID 64910199
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one
CID 62093216
2-[1-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 62742244
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine
CID 113349300
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364025
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785821

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine?
The IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine (CID 130718926) is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine.
What is the SMILES notation for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine?
The canonical SMILES for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine is C[C@H](NC1CCC1)c1ccc(Cl)s1.
What is the InChIKey of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine?
The InChIKey is YRENWOOMTWIMBP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-7(12-8-3-2-4-8)9-5-6-10(11)13-9/h5-8,12H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine?
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine has a molecular weight of 215.75 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine is sourced from PubChem (CID 130718926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).