3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine

C14H18N4S — CID 171293849

IUPAC3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine
SMILESNc1ncccc1[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C14H18N4S/c15-14-11(3-1-5-17-14)13(12-4-2-10-19-12)18-8-6-16-7-9-18/h1-5,10,13,16H,6-9H2,(H2,15,17)/t13-/m0/s1
InChIKeyVRRNTPBUGJNMCK-ZDUSSCGKSA-N
MW274.39 g/mol
LogP1.72
Rot. Bonds3

About 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine

3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine (PubChem CID 171293849) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine
PubChem CID171293849
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine
SMILESNc1ncccc1[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C14H18N4S/c15-14-11(3-1-5-17-14)13(12-4-2-10-19-12)18-8-6-16-7-9-18/h1-5,10,13,16H,6-9H2,(H2,15,17)/t13-/m0/s1
InChIKeyVRRNTPBUGJNMCK-ZDUSSCGKSA-N
XLogP1.72
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171287163
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287
3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine
CID 171281215
3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride
CID 171293862
1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
CID 171180610
3-[(R)-amino(thiophen-2-yl)methyl]pyridin-2-amine;hydrochloride
CID 171230932
1-[(2-fluorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3756282
4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,2,3-triol
CID 171286810
1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171180423
2-amino-3-fluoro-6-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171300977
1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 171276105
(3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307032

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine (CID 171293849) is 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine is Nc1ncccc1[C@@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine?
The InChIKey is VRRNTPBUGJNMCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N4S/c15-14-11(3-1-5-17-14)13(12-4-2-10-19-12)18-8-6-16-7-9-18/h1-5,10,13,16H,6-9H2,(H2,15,17)/t13-/m0/s1.
What are the key properties of 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine?
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine has a molecular weight of 274.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 171293849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).