N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide

C10H14N4O2S2 — CID 114175397

IUPACN-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C10H14N4O2S2/c1-18(15,16)12-4-2-6-14-9-3-5-11-7-8(9)13-10(14)17/h3,5,7,12H,2,4,6H2,1H3,(H,13,17)
InChIKeyWHHPAYMEXIGLPE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.03
Rot. Bonds5

About N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide

N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide (PubChem CID 114175397) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide
PubChem CID114175397
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC NameN-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C10H14N4O2S2/c1-18(15,16)12-4-2-6-14-9-3-5-11-7-8(9)13-10(14)17/h3,5,7,12H,2,4,6H2,1H3,(H,13,17)
InChIKeyWHHPAYMEXIGLPE-UHFFFAOYSA-N
XLogP1.03
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide (CID 114175397) is N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCn1c(=S)[nH]c2cnccc21.
What is the InChIKey of N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide?
The InChIKey is WHHPAYMEXIGLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-18(15,16)12-4-2-6-14-9-3-5-11-7-8(9)13-10(14)17/h3,5,7,12H,2,4,6H2,1H3,(H,13,17).
What are the key properties of N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide?
N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 114175397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).