N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine

C10H13ClN2S — CID 79507501

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(NC1=NCCC1)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2S/c1-7(8-4-5-9(11)14-8)13-10-3-2-6-12-10/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyYHMDGAKPUYVMEU-UHFFFAOYSA-N
MW228.75 g/mol
LogP3.24
Rot. Bonds2

About N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79507501) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79507501
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(NC1=NCCC1)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2S/c1-7(8-4-5-9(11)14-8)13-10-3-2-6-12-10/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyYHMDGAKPUYVMEU-UHFFFAOYSA-N
XLogP3.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-thiophen-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81408564
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CID 43692517
N-(1-chloroethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 21397100
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
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N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643647
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine
CID 80653466
N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508912

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 79507501) is N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is CC(NC1=NCCC1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is YHMDGAKPUYVMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S/c1-7(8-4-5-9(11)14-8)13-10-3-2-6-12-10/h4-5,7H,2-3,6H2,1H3,(H,12,13).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 228.75 g/mol, XLogP of 3.24, 2 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]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79507501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).