(3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one

C14H18N4O2S — CID 100640574

IUPAC(3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one
SMILESCc1csc2c(N[C@H]3CCCN(CCO)C3=O)ncnc12
InChIInChI=1S/C14H18N4O2S/c1-9-7-21-12-11(9)15-8-16-13(12)17-10-3-2-4-18(5-6-19)14(10)20/h7-8,10,19H,2-6H2,1H3,(H,15,16,17)/t10-/m0/s1
InChIKeyKIYUMYNGPZFWBL-JTQLQIEISA-N
MW306.39 g/mol
LogP1.39
Rot. Bonds4

About (3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one

(3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 100640574) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one
PubChem CID100640574
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name(3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one
SMILESCc1csc2c(N[C@H]3CCCN(CCO)C3=O)ncnc12
InChIInChI=1S/C14H18N4O2S/c1-9-7-21-12-11(9)15-8-16-13(12)17-10-3-2-4-18(5-6-19)14(10)20/h7-8,10,19H,2-6H2,1H3,(H,15,16,17)/t10-/m0/s1
InChIKeyKIYUMYNGPZFWBL-JTQLQIEISA-N
XLogP1.39
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of (3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one (CID 100640574) is (3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for (3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for (3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one is Cc1csc2c(N[C@H]3CCCN(CCO)C3=O)ncnc12.
What is the InChIKey of (3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is KIYUMYNGPZFWBL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-7-21-12-11(9)15-8-16-13(12)17-10-3-2-4-18(5-6-19)14(10)20/h7-8,10,19H,2-6H2,1H3,(H,15,16,17)/t10-/m0/s1.
What are the key properties of (3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one?
(3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 306.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-hydroxyethyl)-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 100640574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).