N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide

C15H23N3O3S2 — CID 156609906

IUPACN,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(CC)C(=O)N1CC2CC(NS(=O)(=O)c3cccs3)C1C2
InChIInChI=1S/C15H23N3O3S2/c1-3-17(4-2)15(19)18-10-11-8-12(13(18)9-11)16-23(20,21)14-6-5-7-22-14/h5-7,11-13,16H,3-4,8-10H2,1-2H3
InChIKeyRSJMDABFHXFGMN-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.95
Rot. Bonds5

About N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide

N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 156609906) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID156609906
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(CC)C(=O)N1CC2CC(NS(=O)(=O)c3cccs3)C1C2
InChIInChI=1S/C15H23N3O3S2/c1-3-17(4-2)15(19)18-10-11-8-12(13(18)9-11)16-23(20,21)14-6-5-7-22-14/h5-7,11-13,16H,3-4,8-10H2,1-2H3
InChIKeyRSJMDABFHXFGMN-UHFFFAOYSA-N
XLogP1.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156602034
N-cyclopropyl-N-ethyl-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55648993
2-(thiophen-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 64816831
3-[ethyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 61007151
N-[(1S,4S,5S)-2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
CID 87052937
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 48851978
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid
CID 116681724
N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)thiophene-2-sulfonamide
CID 73133417
(3R)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 39947737
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55909310

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 156609906) is N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide is CCN(CC)C(=O)N1CC2CC(NS(=O)(=O)c3cccs3)C1C2.
What is the InChIKey of N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is RSJMDABFHXFGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-3-17(4-2)15(19)18-10-11-8-12(13(18)9-11)16-23(20,21)14-6-5-7-22-14/h5-7,11-13,16H,3-4,8-10H2,1-2H3.
What are the key properties of N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 156609906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).