N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine

C13H23N3S — CID 116960914

IUPACN-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine
SMILESCNC(CC(C)N1CCNCC1)c1cccs1
InChIInChI=1S/C13H23N3S/c1-11(16-7-5-15-6-8-16)10-12(14-2)13-4-3-9-17-13/h3-4,9,11-12,14-15H,5-8,10H2,1-2H3
InChIKeyLHWLSXIJUNJBHB-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.69
Rot. Bonds5

About N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine

N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine (PubChem CID 116960914) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine
PubChem CID116960914
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine
SMILESCNC(CC(C)N1CCNCC1)c1cccs1
InChIInChI=1S/C13H23N3S/c1-11(16-7-5-15-6-8-16)10-12(14-2)13-4-3-9-17-13/h3-4,9,11-12,14-15H,5-8,10H2,1-2H3
InChIKeyLHWLSXIJUNJBHB-UHFFFAOYSA-N
XLogP1.69
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine
CID 116954947
N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
CID 116960921
1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine
CID 116960927
N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255603
N-methyl-2-piperidin-4-yl-1-thiophen-2-ylethanamine
CID 116951783
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 83979379
piperazin-1-yl(thiophen-2-yl)methanamine
CID 116939719
(2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile
CID 8893243
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
N-methyl-2-propan-2-ylsulfanyl-1-thiophen-2-ylethanamine
CID 65131483

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine (CID 116960914) is N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine is CNC(CC(C)N1CCNCC1)c1cccs1.
What is the InChIKey of N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine?
The InChIKey is LHWLSXIJUNJBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11(16-7-5-15-6-8-16)10-12(14-2)13-4-3-9-17-13/h3-4,9,11-12,14-15H,5-8,10H2,1-2H3.
What are the key properties of N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine?
N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 116960914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).