7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride

C15H17Cl2NS — CID 14836290

IUPAC7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride
SMILESC=C(C)c1sc2ccc(Cl)c3c2c1CN(C)CC3.Cl
InChIInChI=1S/C15H16ClNS.ClH/c1-9(2)15-11-8-17(3)7-6-10-12(16)4-5-13(18-15)14(10)11;/h4-5H,1,6-8H2,2-3H3;1H
InChIKeyKVNXLDSVNZHDAA-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.00
Rot. Bonds1

About 7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride

7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride (PubChem CID 14836290) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride.

Molecular Properties

Compound Name7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride
PubChem CID14836290
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride
SMILESC=C(C)c1sc2ccc(Cl)c3c2c1CN(C)CC3.Cl
InChIInChI=1S/C15H16ClNS.ClH/c1-9(2)15-11-8-17(3)7-6-10-12(16)4-5-13(18-15)14(10)11;/h4-5H,1,6-8H2,2-3H3;1H
InChIKeyKVNXLDSVNZHDAA-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride?
The IUPAC name of 7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride (CID 14836290) is 7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride.
What is the SMILES notation for 7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride?
The canonical SMILES for 7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride is C=C(C)c1sc2ccc(Cl)c3c2c1CN(C)CC3.Cl.
What is the InChIKey of 7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride?
The InChIKey is KVNXLDSVNZHDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS.ClH/c1-9(2)15-11-8-17(3)7-6-10-12(16)4-5-13(18-15)14(10)11;/h4-5H,1,6-8H2,2-3H3;1H.
What are the key properties of 7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride?
7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride has a molecular weight of 314.28 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-11-methyl-2-prop-1-en-2-yl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride is sourced from PubChem (CID 14836290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).