N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride

C19H23ClN2OS — CID 119475848

IUPACN-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CC1
InChIInChI=1S/C19H22N2OS.ClH/c20-14-7-9-15(10-8-14)21-19(22)17-11-13-6-5-12-3-1-2-4-16(12)18(13)23-17;/h1-4,11,14-15H,5-10,20H2,(H,21,22);1H
InChIKeyHCQLZVBLGDYOLJ-UHFFFAOYSA-N
MW362.93 g/mol
LogP3.94
Rot. Bonds2

About N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride (PubChem CID 119475848) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride
PubChem CID119475848
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CC1
InChIInChI=1S/C19H22N2OS.ClH/c20-14-7-9-15(10-8-14)21-19(22)17-11-13-6-5-12-3-1-2-4-16(12)18(13)23-17;/h1-4,11,14-15H,5-10,20H2,(H,21,22);1H
InChIKeyHCQLZVBLGDYOLJ-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride (CID 119475848) is N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride?
The InChIKey is HCQLZVBLGDYOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS.ClH/c20-14-7-9-15(10-8-14)21-19(22)17-11-13-6-5-12-3-1-2-4-16(12)18(13)23-17;/h1-4,11,14-15H,5-10,20H2,(H,21,22);1H.
What are the key properties of N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride has a molecular weight of 362.93 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119475848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).