N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine

C15H26ClN3S — CID 107360088

IUPACN-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CN(C)CCN1C)c1sccc1Cl
InChIInChI=1S/C15H26ClN3S/c1-4-6-17-14(15-13(16)5-9-20-15)10-12-11-18(2)7-8-19(12)3/h5,9,12,14,17H,4,6-8,10-11H2,1-3H3
InChIKeyJESYRQZUZLZJHS-UHFFFAOYSA-N
MW315.91 g/mol
LogP3.08
Rot. Bonds6

About N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine

N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine (PubChem CID 107360088) has the molecular formula C15H26ClN3S and a molecular weight of 315.91 g/mol. Its IUPAC name is N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
PubChem CID107360088
Molecular FormulaC15H26ClN3S
Molecular Weight315.91 g/mol
Exact Mass315.15
IUPAC NameN-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CN(C)CCN1C)c1sccc1Cl
InChIInChI=1S/C15H26ClN3S/c1-4-6-17-14(15-13(16)5-9-20-15)10-12-11-18(2)7-8-19(12)3/h5,9,12,14,17H,4,6-8,10-11H2,1-3H3
InChIKeyJESYRQZUZLZJHS-UHFFFAOYSA-N
XLogP3.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 115415648
N-[2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 115415600
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 115415645
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 115415598
N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 107360148
N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163244
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 115415642
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415518
1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115415653
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 114659633

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine (CID 107360088) is N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine is CCCNC(CC1CN(C)CCN1C)c1sccc1Cl.
What is the InChIKey of N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine?
The InChIKey is JESYRQZUZLZJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3S/c1-4-6-17-14(15-13(16)5-9-20-15)10-12-11-18(2)7-8-19(12)3/h5,9,12,14,17H,4,6-8,10-11H2,1-3H3.
What are the key properties of N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine?
N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine has a molecular weight of 315.91 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107360088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).