N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine

C14H23ClN2S — CID 62513257

IUPACN-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(C(C)c2ccc(Cl)s2)C1
InChIInChI=1S/C14H23ClN2S/c1-10(2)16-8-12-6-7-17(9-12)11(3)13-4-5-14(15)18-13/h4-5,10-12,16H,6-9H2,1-3H3
InChIKeyNFMJOIULYLUCEH-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.78
Rot. Bonds5

About N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 62513257) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID62513257
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC NameN-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(C(C)c2ccc(Cl)s2)C1
InChIInChI=1S/C14H23ClN2S/c1-10(2)16-8-12-6-7-17(9-12)11(3)13-4-5-14(15)18-13/h4-5,10-12,16H,6-9H2,1-3H3
InChIKeyNFMJOIULYLUCEH-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240776
N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511792
1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine
CID 61297752
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine
CID 54954672
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 113387327
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512457
N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240771
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512469
3-butan-2-yl-1-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazepane
CID 64943819
1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63862940
1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine
CID 115713294

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 62513257) is N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(C(C)c2ccc(Cl)s2)C1.
What is the InChIKey of N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is NFMJOIULYLUCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S/c1-10(2)16-8-12-6-7-17(9-12)11(3)13-4-5-14(15)18-13/h4-5,10-12,16H,6-9H2,1-3H3.
What are the key properties of N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 286.87 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62513257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).