N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine

C13H18ClNOS — CID 113349300

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine
SMILESCC(NC1CCOC1C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNOS/c1-8(11-4-5-12(14)17-11)15-10-6-7-16-13(10)9-2-3-9/h4-5,8-10,13,15H,2-3,6-7H2,1H3
InChIKeyBTJBALCLMOLIFV-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.62
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine (PubChem CID 113349300) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine
PubChem CID113349300
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine
SMILESCC(NC1CCOC1C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNOS/c1-8(11-4-5-12(14)17-11)15-10-6-7-16-13(10)9-2-3-9/h4-5,8-10,13,15H,2-3,6-7H2,1H3
InChIKeyBTJBALCLMOLIFV-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine
CID 64910199
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364025
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]oxolan-3-amine
CID 103905775
2-[1-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 62742244
2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine
CID 115336297
2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine
CID 103905754
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82725149
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine
CID 75470334
2-cyclopropyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]oxolan-3-amine
CID 113349326

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine (CID 113349300) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine is CC(NC1CCOC1C1CC1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is BTJBALCLMOLIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-8(11-4-5-12(14)17-11)15-10-6-7-16-13(10)9-2-3-9/h4-5,8-10,13,15H,2-3,6-7H2,1H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 271.81 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 113349300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).