N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide

C15H17N3O3S2 — CID 91081323

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide
SMILESCS(=O)(=O)c1cc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)ncc2s1
InChIInChI=1S/C15H17N3O3S2/c1-23(20,21)14-5-8-4-12(16-7-13(8)22-14)15(19)18-11-6-9-2-3-10(11)17-9/h4-5,7,9-11,17H,2-3,6H2,1H3,(H,18,19)/t9-,10+,11-/m1/s1
InChIKeyHUHHVSKUQBYBKS-OUAUKWLOSA-N
MW351.45 g/mol
LogP1.32
Rot. Bonds3

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide (PubChem CID 91081323) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide
PubChem CID91081323
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide
SMILESCS(=O)(=O)c1cc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)ncc2s1
InChIInChI=1S/C15H17N3O3S2/c1-23(20,21)14-5-8-4-12(16-7-13(8)22-14)15(19)18-11-6-9-2-3-10(11)17-9/h4-5,7,9-11,17H,2-3,6H2,1H3,(H,18,19)/t9-,10+,11-/m1/s1
InChIKeyHUHHVSKUQBYBKS-OUAUKWLOSA-N
XLogP1.32
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-formylthieno[2,3-c]pyridine-5-carboxamide
CID 90995852
methyl 6-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]thieno[3,2-c]pyridine-2-carboxylate
CID 91092747
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-prop-1-ynylthieno[3,2-c]pyridine-6-carboxamide
CID 91427620
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[di(propan-2-yl)amino]thieno[2,3-c]pyridine-5-carboxamide
CID 90763954
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-6-(trifluoromethyl)isoquinoline-3-carboxamide
CID 10404695
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-hydroxypyridine-2-carboxamide
CID 23598720
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 90779569
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-fluoropyridine-2-carboxamide
CID 23598718
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 91251309
methyl 3-[5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]thieno[2,3-c]pyridin-3-yl]prop-2-ynoate
CID 90739734
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methylfuro[2,3-c]pyridine-5-carboxamide;dihydrochloride
CID 162321357
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
CID 91577329

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide (CID 91081323) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide is CS(=O)(=O)c1cc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)ncc2s1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is HUHHVSKUQBYBKS-OUAUKWLOSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-23(20,21)14-5-8-4-12(16-7-13(8)22-14)15(19)18-11-6-9-2-3-10(11)17-9/h4-5,7,9-11,17H,2-3,6H2,1H3,(H,18,19)/t9-,10+,11-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 91081323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).