7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine

C16H23N3O2S2 — CID 86717425

IUPAC7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine
SMILESCS(=O)(=O)CCC1CCC(Nc2c(N)cnc3ccsc23)CC1
InChIInChI=1S/C16H23N3O2S2/c1-23(20,21)9-7-11-2-4-12(5-3-11)19-15-13(17)10-18-14-6-8-22-16(14)15/h6,8,10-12H,2-5,7,9,17H2,1H3,(H,18,19)
InChIKeyDPWRZHYGFSZDCW-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.28
Rot. Bonds5

About 7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine

7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine (PubChem CID 86717425) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine.

Molecular Properties

Compound Name7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine
PubChem CID86717425
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC Name7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine
SMILESCS(=O)(=O)CCC1CCC(Nc2c(N)cnc3ccsc23)CC1
InChIInChI=1S/C16H23N3O2S2/c1-23(20,21)9-7-11-2-4-12(5-3-11)19-15-13(17)10-18-14-6-8-22-16(14)15/h6,8,10-12H,2-5,7,9,17H2,1H3,(H,18,19)
InChIKeyDPWRZHYGFSZDCW-UHFFFAOYSA-N
XLogP3.28
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine 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 7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine?
The IUPAC name of 7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine (CID 86717425) is 7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine.
What is the SMILES notation for 7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine?
The canonical SMILES for 7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine is CS(=O)(=O)CCC1CCC(Nc2c(N)cnc3ccsc23)CC1.
What is the InChIKey of 7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine?
The InChIKey is DPWRZHYGFSZDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-23(20,21)9-7-11-2-4-12(5-3-11)19-15-13(17)10-18-14-6-8-22-16(14)15/h6,8,10-12H,2-5,7,9,17H2,1H3,(H,18,19).
What are the key properties of 7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine?
7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine has a molecular weight of 353.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[4-(2-methylsulfonylethyl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine is sourced from PubChem (CID 86717425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).