(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride

C19H33ClN2OS — CID 120991954

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCSC3(CCCCC3)C1)C2
InChIInChI=1S/C19H32N2OS.ClH/c20-17-14-5-4-6-15(17)12-16(11-14)18(22)21-9-10-23-19(13-21)7-2-1-3-8-19;/h14-17H,1-13,20H2;1H
InChIKeyQABQJDCZDWPVIZ-UHFFFAOYSA-N
MW373.01 g/mol
LogP3.84
Rot. Bonds1

About (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride

(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride (PubChem CID 120991954) has the molecular formula C19H33ClN2OS and a molecular weight of 373.01 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride
PubChem CID120991954
Molecular FormulaC19H33ClN2OS
Molecular Weight373.01 g/mol
Exact Mass372.20
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCSC3(CCCCC3)C1)C2
InChIInChI=1S/C19H32N2OS.ClH/c20-17-14-5-4-6-15(17)12-16(11-14)18(22)21-9-10-23-19(13-21)7-2-1-3-8-19;/h14-17H,1-13,20H2;1H
InChIKeyQABQJDCZDWPVIZ-UHFFFAOYSA-N
XLogP3.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.01
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride 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 (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride (CID 120991954) is (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)N1CCSC3(CCCCC3)C1)C2.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride?
The InChIKey is QABQJDCZDWPVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2OS.ClH/c20-17-14-5-4-6-15(17)12-16(11-14)18(22)21-9-10-23-19(13-21)7-2-1-3-8-19;/h14-17H,1-13,20H2;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride has a molecular weight of 373.01 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120991954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).