(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol

C10H14N2OS — CID 62922536

IUPAC(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol
SMILESCN1C2CCC1c1sc(CO)nc1C2
InChIInChI=1S/C10H14N2OS/c1-12-6-2-3-8(12)10-7(4-6)11-9(5-13)14-10/h6,8,13H,2-5H2,1H3
InChIKeyPWRWDNZYISNTIZ-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.33
Rot. Bonds1

About (11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol

(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol (PubChem CID 62922536) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is (11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol.

Molecular Properties

Compound Name(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol
PubChem CID62922536
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol
SMILESCN1C2CCC1c1sc(CO)nc1C2
InChIInChI=1S/C10H14N2OS/c1-12-6-2-3-8(12)10-7(4-6)11-9(5-13)14-10/h6,8,13H,2-5H2,1H3
InChIKeyPWRWDNZYISNTIZ-UHFFFAOYSA-N
XLogP1.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol?
The IUPAC name of (11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol (CID 62922536) is (11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol.
What is the SMILES notation for (11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol?
The canonical SMILES for (11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol is CN1C2CCC1c1sc(CO)nc1C2.
What is the InChIKey of (11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol?
The InChIKey is PWRWDNZYISNTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-12-6-2-3-8(12)10-7(4-6)11-9(5-13)14-10/h6,8,13H,2-5H2,1H3.
What are the key properties of (11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol?
(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol has a molecular weight of 210.30 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol is sourced from PubChem (CID 62922536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).