N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine

C12H21N3OS — CID 53273823

IUPACN-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine
SMILESCOCc1ccc(CNN2CCN(C)CC2)s1
InChIInChI=1S/C12H21N3OS/c1-14-5-7-15(8-6-14)13-9-11-3-4-12(17-11)10-16-2/h3-4,13H,5-10H2,1-2H3
InChIKeyJRQKJSOVLNDMIT-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.15
Rot. Bonds5

About N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine

N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine (PubChem CID 53273823) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine
PubChem CID53273823
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine
SMILESCOCc1ccc(CNN2CCN(C)CC2)s1
InChIInChI=1S/C12H21N3OS/c1-14-5-7-15(8-6-14)13-9-11-3-4-12(17-11)10-16-2/h3-4,13H,5-10H2,1-2H3
InChIKeyJRQKJSOVLNDMIT-UHFFFAOYSA-N
XLogP1.15
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine (CID 53273823) is N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine is COCc1ccc(CNN2CCN(C)CC2)s1.
What is the InChIKey of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine?
The InChIKey is JRQKJSOVLNDMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-14-5-7-15(8-6-14)13-9-11-3-4-12(17-11)10-16-2/h3-4,13H,5-10H2,1-2H3.
What are the key properties of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine?
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine has a molecular weight of 255.39 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 53273823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).