3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine

C10H18ClN3S — CID 115120093

IUPAC3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
SMILESCN(CCc1ccc(Cl)s1)CC(N)CN
InChIInChI=1S/C10H18ClN3S/c1-14(7-8(13)6-12)5-4-9-2-3-10(11)15-9/h2-3,8H,4-7,12-13H2,1H3
InChIKeyQPOGAPLNKLGXGZ-UHFFFAOYSA-N
MW247.80 g/mol
LogP1.16
Rot. Bonds6

About 3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine

3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine (PubChem CID 115120093) has the molecular formula C10H18ClN3S and a molecular weight of 247.80 g/mol. Its IUPAC name is 3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
PubChem CID115120093
Molecular FormulaC10H18ClN3S
Molecular Weight247.80 g/mol
Exact Mass247.09
IUPAC Name3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
SMILESCN(CCc1ccc(Cl)s1)CC(N)CN
InChIInChI=1S/C10H18ClN3S/c1-14(7-8(13)6-12)5-4-9-2-3-10(11)15-9/h2-3,8H,4-7,12-13H2,1H3
InChIKeyQPOGAPLNKLGXGZ-UHFFFAOYSA-N
XLogP1.16
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.80
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol
CID 115120936
N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine
CID 115226192
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133007
2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylethanamine
CID 81322722
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 61438822
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N,3,3-trimethylbutane-1,2-diamine
CID 112555955
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61438257
(1R)-N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 112736530
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine
CID 115120102
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
CID 83934932

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine?
The IUPAC name of 3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine (CID 115120093) is 3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine.
What is the SMILES notation for 3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine?
The canonical SMILES for 3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine is CN(CCc1ccc(Cl)s1)CC(N)CN.
What is the InChIKey of 3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine?
The InChIKey is QPOGAPLNKLGXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3S/c1-14(7-8(13)6-12)5-4-9-2-3-10(11)15-9/h2-3,8H,4-7,12-13H2,1H3.
What are the key properties of 3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine?
3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine has a molecular weight of 247.80 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine is sourced from PubChem (CID 115120093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).