N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide

C13H19N3O5S2 — CID 113067780

IUPACN-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccnc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H19N3O5S2/c1-22(18,19)16(12-4-8-23(20,21)10-12)7-6-15-13(17)11-3-2-5-14-9-11/h2-3,5,9,12H,4,6-8,10H2,1H3,(H,15,17)
InChIKeyDJAMJHZMDPTKHW-UHFFFAOYSA-N
MW361.45 g/mol
LogP-0.74
Rot. Bonds6

About N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide

N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide (PubChem CID 113067780) has the molecular formula C13H19N3O5S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide
PubChem CID113067780
Molecular FormulaC13H19N3O5S2
Molecular Weight361.45 g/mol
Exact Mass361.08
IUPAC NameN-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccnc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H19N3O5S2/c1-22(18,19)16(12-4-8-23(20,21)10-12)7-6-15-13(17)11-3-2-5-14-9-11/h2-3,5,9,12H,4,6-8,10H2,1H3,(H,15,17)
InChIKeyDJAMJHZMDPTKHW-UHFFFAOYSA-N
XLogP-0.74
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113069126
N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 47156864
N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 113070892
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-phenylpropanamide
CID 113140540
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
CID 94151657
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113043019
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510
N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide
CID 110442853
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
CID 113140538
N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 97185751
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113065137

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide (CID 113067780) is N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide is CS(=O)(=O)N(CCNC(=O)c1cccnc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is DJAMJHZMDPTKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S2/c1-22(18,19)16(12-4-8-23(20,21)10-12)7-6-15-13(17)11-3-2-5-14-9-11/h2-3,5,9,12H,4,6-8,10H2,1H3,(H,15,17).
What are the key properties of N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide?
N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of -0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113067780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).