N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide

C15H21N3O4S2 — CID 166364910

IUPACN-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(=O)N1CCc2sc(S(=O)(=O)NC(=O)C3(N)CC3(C)C)cc2C1
InChIInChI=1S/C15H21N3O4S2/c1-9(19)18-5-4-11-10(7-18)6-12(23-11)24(21,22)17-13(20)15(16)8-14(15,2)3/h6H,4-5,7-8,16H2,1-3H3,(H,17,20)
InChIKeyDMZHCLCNNJTZAD-UHFFFAOYSA-N
MW371.48 g/mol
LogP0.58
Rot. Bonds3

About N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide

N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 166364910) has the molecular formula C15H21N3O4S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID166364910
Molecular FormulaC15H21N3O4S2
Molecular Weight371.48 g/mol
Exact Mass371.10
IUPAC NameN-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(=O)N1CCc2sc(S(=O)(=O)NC(=O)C3(N)CC3(C)C)cc2C1
InChIInChI=1S/C15H21N3O4S2/c1-9(19)18-5-4-11-10(7-18)6-12(23-11)24(21,22)17-13(20)15(16)8-14(15,2)3/h6H,4-5,7-8,16H2,1-3H3,(H,17,20)
InChIKeyDMZHCLCNNJTZAD-UHFFFAOYSA-N
XLogP0.58
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide (CID 166364910) is N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide is CC(=O)N1CCc2sc(S(=O)(=O)NC(=O)C3(N)CC3(C)C)cc2C1.
What is the InChIKey of N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is DMZHCLCNNJTZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S2/c1-9(19)18-5-4-11-10(7-18)6-12(23-11)24(21,22)17-13(20)15(16)8-14(15,2)3/h6H,4-5,7-8,16H2,1-3H3,(H,17,20).
What are the key properties of N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide?
N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 166364910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).