N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide

C13H14N2O2S2 — CID 121165977

IUPACN-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccsc2)c1)C1CC1
InChIInChI=1S/C13H14N2O2S2/c16-19(17,12-1-2-12)15-8-10-3-5-14-13(7-10)11-4-6-18-9-11/h3-7,9,12,15H,1-2,8H2
InChIKeyHEWSKKXQTZJOFV-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.39
Rot. Bonds5

About N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide

N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide (PubChem CID 121165977) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide
PubChem CID121165977
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC NameN-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccsc2)c1)C1CC1
InChIInChI=1S/C13H14N2O2S2/c16-19(17,12-1-2-12)15-8-10-3-5-14-13(7-10)11-4-6-18-9-11/h3-7,9,12,15H,1-2,8H2
InChIKeyHEWSKKXQTZJOFV-UHFFFAOYSA-N
XLogP2.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide (CID 121165977) is N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide is O=S(=O)(NCc1ccnc(-c2ccsc2)c1)C1CC1.
What is the InChIKey of N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide?
The InChIKey is HEWSKKXQTZJOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c16-19(17,12-1-2-12)15-8-10-3-5-14-13(7-10)11-4-6-18-9-11/h3-7,9,12,15H,1-2,8H2.
What are the key properties of N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide?
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide has a molecular weight of 294.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 121165977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).