[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone

C15H22N4OS — CID 81456152

IUPAC[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)N2CCN(c3ccc(N)nc3)CC2)CCCS1
InChIInChI=1S/C15H22N4OS/c1-15(5-2-10-21-15)14(20)19-8-6-18(7-9-19)12-3-4-13(16)17-11-12/h3-4,11H,2,5-10H2,1H3,(H2,16,17)
InChIKeyWWXCONCWLOMTCD-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.60
Rot. Bonds2

About [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone (PubChem CID 81456152) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone
PubChem CID81456152
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)N2CCN(c3ccc(N)nc3)CC2)CCCS1
InChIInChI=1S/C15H22N4OS/c1-15(5-2-10-21-15)14(20)19-8-6-18(7-9-19)12-3-4-13(16)17-11-12/h3-4,11H,2,5-10H2,1H3,(H2,16,17)
InChIKeyWWXCONCWLOMTCD-UHFFFAOYSA-N
XLogP1.60
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-aminophenyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 81456150
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000234
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43461892
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 43461882
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115949166
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 62276664
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 62921478
9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide
CID 142371873

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone?
The IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone (CID 81456152) is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone is CC1(C(=O)N2CCN(c3ccc(N)nc3)CC2)CCCS1.
What is the InChIKey of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone?
The InChIKey is WWXCONCWLOMTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-15(5-2-10-21-15)14(20)19-8-6-18(7-9-19)12-3-4-13(16)17-11-12/h3-4,11H,2,5-10H2,1H3,(H2,16,17).
What are the key properties of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone?
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone has a molecular weight of 306.43 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81456152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).