N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide

C15H20N2OS — CID 53234404

IUPACN-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2[C@@H]3CC4C[C@H]2CN(C4)C3)s1
InChIInChI=1S/C15H20N2OS/c1-9-2-3-13(19-9)15(18)16-14-11-4-10-5-12(14)8-17(6-10)7-11/h2-3,10-12,14H,4-8H2,1H3,(H,16,18)/t10?,11-,12+,14?
InChIKeyODVPYZIWYUOIBD-OEIYDUSMSA-N
MW276.40 g/mol
LogP2.13
Rot. Bonds2

About N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide

N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 53234404) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID53234404
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2[C@@H]3CC4C[C@H]2CN(C4)C3)s1
InChIInChI=1S/C15H20N2OS/c1-9-2-3-13(19-9)15(18)16-14-11-4-10-5-12(14)8-17(6-10)7-11/h2-3,10-12,14H,4-8H2,1H3,(H,16,18)/t10?,11-,12+,14?
InChIKeyODVPYZIWYUOIBD-OEIYDUSMSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide
CID 141172259
N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide
CID 141172233
N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride
CID 67152116
N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride
CID 141172267
N-(2-amino-4-ethoxycyclobutyl)-5-methylthiophene-2-carboxamide
CID 66195121
N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-pyridin-2-ylthiophene-2-carboxamide
CID 53235241
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide
CID 104957425
N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride
CID 141172253
N-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49414960
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(5-methylthiophene-2-carbonyl)amino]thiourea
CID 98331191
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209
N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 114301167

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide (CID 53234404) is N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2[C@@H]3CC4C[C@H]2CN(C4)C3)s1.
What is the InChIKey of N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is ODVPYZIWYUOIBD-OEIYDUSMSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9-2-3-13(19-9)15(18)16-14-11-4-10-5-12(14)8-17(6-10)7-11/h2-3,10-12,14H,4-8H2,1H3,(H,16,18)/t10?,11-,12+,14?.
What are the key properties of N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide?
N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 53234404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).