N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide

C14H21BrN2OS — CID 138111140

IUPACN-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide
SMILESBr.O=C(NC1CCCCC1)c1cc2c(s1)CCNC2
InChIInChI=1S/C14H20N2OS.BrH/c17-14(16-11-4-2-1-3-5-11)13-8-10-9-15-7-6-12(10)18-13;/h8,11,15H,1-7,9H2,(H,16,17);1H
InChIKeyYMMWFAASSQECTJ-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.03
Rot. Bonds2

About N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide

N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide (PubChem CID 138111140) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide.

Molecular Properties

Compound NameN-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide
PubChem CID138111140
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC NameN-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide
SMILESBr.O=C(NC1CCCCC1)c1cc2c(s1)CCNC2
InChIInChI=1S/C14H20N2OS.BrH/c17-14(16-11-4-2-1-3-5-11)13-8-10-9-15-7-6-12(10)18-13;/h8,11,15H,1-7,9H2,(H,16,17);1H
InChIKeyYMMWFAASSQECTJ-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158808
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 167970684
N-(4-oxocyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43652917
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 119456368
N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119453037
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 55690908
N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261934
N-(2-hydroxycyclohexyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 62366470
N-[(1S,2S)-2-hydroxycyclohexyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 104956682
N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 120600778

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide?
The IUPAC name of N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide (CID 138111140) is N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide.
What is the SMILES notation for N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide?
The canonical SMILES for N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide is Br.O=C(NC1CCCCC1)c1cc2c(s1)CCNC2.
What is the InChIKey of N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide?
The InChIKey is YMMWFAASSQECTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.BrH/c17-14(16-11-4-2-1-3-5-11)13-8-10-9-15-7-6-12(10)18-13;/h8,11,15H,1-7,9H2,(H,16,17);1H.
What are the key properties of N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide?
N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide has a molecular weight of 345.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide is sourced from PubChem (CID 138111140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).