N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

C19H22N2OS — CID 119442212

IUPACN-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccccc1CC2)C1CCNCC1
InChIInChI=1S/C19H22N2OS/c1-21(15-8-10-20-11-9-15)19(22)17-12-14-7-6-13-4-2-3-5-16(13)18(14)23-17/h2-5,12,15,20H,6-11H2,1H3
InChIKeyRJUOVLDDRIZXMH-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.34
Rot. Bonds2

About N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (PubChem CID 119442212) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
PubChem CID119442212
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC NameN-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccccc1CC2)C1CCNCC1
InChIInChI=1S/C19H22N2OS/c1-21(15-8-10-20-11-9-15)19(22)17-12-14-7-6-13-4-2-3-5-16(13)18(14)23-17/h2-5,12,15,20H,6-11H2,1H3
InChIKeyRJUOVLDDRIZXMH-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
CID 71717423
2-[cyclopropyl(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)amino]acetic acid
CID 119194949
N-methyl-N-piperidin-4-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride
CID 119442040
N-methyl-N-piperidin-4-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 119442107
N-(azepan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 104974435
N-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 1490444
4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119444644
5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 43602032
5-chloro-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 62277462
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 24560180
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 120891207
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 34793458

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (CID 119442212) is N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The InChIKey is RJUOVLDDRIZXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-21(15-8-10-20-11-9-15)19(22)17-12-14-7-6-13-4-2-3-5-16(13)18(14)23-17/h2-5,12,15,20H,6-11H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide has a molecular weight of 326.46 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is sourced from PubChem (CID 119442212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).