N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C14H24N2OS — CID 114123022

IUPACN-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCSC1CCC(NC(=O)C2CC3CCC2N3)CC1
InChIInChI=1S/C14H24N2OS/c1-18-11-5-2-9(3-6-11)16-14(17)12-8-10-4-7-13(12)15-10/h9-13,15H,2-8H2,1H3,(H,16,17)
InChIKeyQWMDZHSSSQJDMB-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.92
Rot. Bonds3

About N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 114123022) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID114123022
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCSC1CCC(NC(=O)C2CC3CCC2N3)CC1
InChIInChI=1S/C14H24N2OS/c1-18-11-5-2-9(3-6-11)16-14(17)12-8-10-4-7-13(12)15-10/h9-13,15H,2-8H2,1H3,(H,16,17)
InChIKeyQWMDZHSSSQJDMB-UHFFFAOYSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031370
N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103812773
N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114629668
methyl (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 12068849
methyl (1R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 131071322
N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113266766
N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113266965
methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
CID 75525587
N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106096594
N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 114123028
cis-(1S,2R)-2-[(3-methylsulfanylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114122622
N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106176726

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 114123022) is N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CSC1CCC(NC(=O)C2CC3CCC2N3)CC1.
What is the InChIKey of N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QWMDZHSSSQJDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-18-11-5-2-9(3-6-11)16-14(17)12-8-10-4-7-13(12)15-10/h9-13,15H,2-8H2,1H3,(H,16,17).
What are the key properties of N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 268.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 114123022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).