N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide

C14H19N3O2S2 — CID 25454344

IUPACN-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide
SMILESCCN(CC)c1ncccc1CNS(=O)(=O)c1ccsc1
InChIInChI=1S/C14H19N3O2S2/c1-3-17(4-2)14-12(6-5-8-15-14)10-16-21(18,19)13-7-9-20-11-13/h5-9,11,16H,3-4,10H2,1-2H3
InChIKeyZNCBOSWGFHZPIU-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.47
Rot. Bonds7

About N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide

N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide (PubChem CID 25454344) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide
PubChem CID25454344
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide
SMILESCCN(CC)c1ncccc1CNS(=O)(=O)c1ccsc1
InChIInChI=1S/C14H19N3O2S2/c1-3-17(4-2)14-12(6-5-8-15-14)10-16-21(18,19)13-7-9-20-11-13/h5-9,11,16H,3-4,10H2,1-2H3
InChIKeyZNCBOSWGFHZPIU-UHFFFAOYSA-N
XLogP2.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide
CID 25312969
3-[(tert-butylamino)methyl]-N,N-diethylpyridin-2-amine
CID 62285753
4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177942
3-acetyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660374
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(4-ethoxyphenoxy)benzenesulfonamide
CID 55691577
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 39660540
1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea
CID 26318583
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 121177877
3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
CID 121177946
N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide
CID 42520251
2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660340
N,N-diethyl-3-ethylsulfonylpyridin-2-amine
CID 117062133

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide?
The IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide (CID 25454344) is N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide is CCN(CC)c1ncccc1CNS(=O)(=O)c1ccsc1.
What is the InChIKey of N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide?
The InChIKey is ZNCBOSWGFHZPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-3-17(4-2)14-12(6-5-8-15-14)10-16-21(18,19)13-7-9-20-11-13/h5-9,11,16H,3-4,10H2,1-2H3.
What are the key properties of N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide?
N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 25454344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).