N-methyl-2-piperazin-1-ylthiophen-3-amine

C9H15N3S — CID 59332386

IUPACN-methyl-2-piperazin-1-ylthiophen-3-amine
SMILESCNc1ccsc1N1CCNCC1
InChIInChI=1S/C9H15N3S/c1-10-8-2-7-13-9(8)12-5-3-11-4-6-12/h2,7,10-11H,3-6H2,1H3
InChIKeyOJDHGKRXEYCWCG-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.20
Rot. Bonds2

About N-methyl-2-piperazin-1-ylthiophen-3-amine

N-methyl-2-piperazin-1-ylthiophen-3-amine (PubChem CID 59332386) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-ylthiophen-3-amine.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-ylthiophen-3-amine
PubChem CID59332386
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-methyl-2-piperazin-1-ylthiophen-3-amine
SMILESCNc1ccsc1N1CCNCC1
InChIInChI=1S/C9H15N3S/c1-10-8-2-7-13-9(8)12-5-3-11-4-6-12/h2,7,10-11H,3-6H2,1H3
InChIKeyOJDHGKRXEYCWCG-UHFFFAOYSA-N
XLogP1.20
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-ylthiophen-3-amine?
The IUPAC name of N-methyl-2-piperazin-1-ylthiophen-3-amine (CID 59332386) is N-methyl-2-piperazin-1-ylthiophen-3-amine.
What is the SMILES notation for N-methyl-2-piperazin-1-ylthiophen-3-amine?
The canonical SMILES for N-methyl-2-piperazin-1-ylthiophen-3-amine is CNc1ccsc1N1CCNCC1.
What is the InChIKey of N-methyl-2-piperazin-1-ylthiophen-3-amine?
The InChIKey is OJDHGKRXEYCWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-10-8-2-7-13-9(8)12-5-3-11-4-6-12/h2,7,10-11H,3-6H2,1H3.
What are the key properties of N-methyl-2-piperazin-1-ylthiophen-3-amine?
N-methyl-2-piperazin-1-ylthiophen-3-amine has a molecular weight of 197.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-ylthiophen-3-amine is sourced from PubChem (CID 59332386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).