N-(4-piperazin-1-ylbutyl)thiophen-2-amine

C12H21N3S — CID 115240320

IUPACN-(4-piperazin-1-ylbutyl)thiophen-2-amine
SMILESc1csc(NCCCCN2CCNCC2)c1
InChIInChI=1S/C12H21N3S/c1(5-14-12-4-3-11-16-12)2-8-15-9-6-13-7-10-15/h3-4,11,13-14H,1-2,5-10H2
InChIKeyYIUDNKRTIBMLPC-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.85
Rot. Bonds6

About N-(4-piperazin-1-ylbutyl)thiophen-2-amine

N-(4-piperazin-1-ylbutyl)thiophen-2-amine (PubChem CID 115240320) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-(4-piperazin-1-ylbutyl)thiophen-2-amine.

Molecular Properties

Compound NameN-(4-piperazin-1-ylbutyl)thiophen-2-amine
PubChem CID115240320
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-(4-piperazin-1-ylbutyl)thiophen-2-amine
SMILESc1csc(NCCCCN2CCNCC2)c1
InChIInChI=1S/C12H21N3S/c1(5-14-12-4-3-11-16-12)2-8-15-9-6-13-7-10-15/h3-4,11,13-14H,1-2,5-10H2
InChIKeyYIUDNKRTIBMLPC-UHFFFAOYSA-N
XLogP1.85
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine
CID 115230458
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
1-(3-thiophen-2-ylsulfanylpropyl)piperazine
CID 68783975
N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255603
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
1-(thiophen-2-ylmethyl)piperazine
CID 566208
N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115171742
N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine
CID 116954947
3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide
CID 115189180
N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119393887

Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylbutyl)thiophen-2-amine?
The IUPAC name of N-(4-piperazin-1-ylbutyl)thiophen-2-amine (CID 115240320) is N-(4-piperazin-1-ylbutyl)thiophen-2-amine.
What is the SMILES notation for N-(4-piperazin-1-ylbutyl)thiophen-2-amine?
The canonical SMILES for N-(4-piperazin-1-ylbutyl)thiophen-2-amine is c1csc(NCCCCN2CCNCC2)c1.
What is the InChIKey of N-(4-piperazin-1-ylbutyl)thiophen-2-amine?
The InChIKey is YIUDNKRTIBMLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1(5-14-12-4-3-11-16-12)2-8-15-9-6-13-7-10-15/h3-4,11,13-14H,1-2,5-10H2.
What are the key properties of N-(4-piperazin-1-ylbutyl)thiophen-2-amine?
N-(4-piperazin-1-ylbutyl)thiophen-2-amine has a molecular weight of 239.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-ylbutyl)thiophen-2-amine is sourced from PubChem (CID 115240320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).