N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine

C16H27N3S — CID 107556834

IUPACN-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCCC1CN(Cc2ccc(CNC3CC3)s2)CCN1C
InChIInChI=1S/C16H27N3S/c1-3-14-11-19(9-8-18(14)2)12-16-7-6-15(20-16)10-17-13-4-5-13/h6-7,13-14,17H,3-5,8-12H2,1-2H3
InChIKeyFGWSJLMKGBKDNQ-UHFFFAOYSA-N
MW293.48 g/mol
LogP2.53
Rot. Bonds6

About N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107556834) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107556834
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCCC1CN(Cc2ccc(CNC3CC3)s2)CCN1C
InChIInChI=1S/C16H27N3S/c1-3-14-11-19(9-8-18(14)2)12-16-7-6-15(20-16)10-17-13-4-5-13/h6-7,13-14,17H,3-5,8-12H2,1-2H3
InChIKeyFGWSJLMKGBKDNQ-UHFFFAOYSA-N
XLogP2.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107556834) is N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine is CCC1CN(Cc2ccc(CNC3CC3)s2)CCN1C.
What is the InChIKey of N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is FGWSJLMKGBKDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-3-14-11-19(9-8-18(14)2)12-16-7-6-15(20-16)10-17-13-4-5-13/h6-7,13-14,17H,3-5,8-12H2,1-2H3.
What are the key properties of N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 293.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107556834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).