N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide

C12H16N4O3S2 — CID 106597853

IUPACN-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C12H16N4O3S2/c13-11(20)10-9(2-1-5-14-10)21(18,19)16-7-6-15-12(17)8-3-4-8/h1-2,5,8,16H,3-4,6-7H2,(H2,13,20)(H,15,17)
InChIKeyDDRRSSQMISSRRM-UHFFFAOYSA-N
MW328.42 g/mol
LogP-0.48
Rot. Bonds7

About N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide

N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide (PubChem CID 106597853) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide
PubChem CID106597853
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC NameN-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C12H16N4O3S2/c13-11(20)10-9(2-1-5-14-10)21(18,19)16-7-6-15-12(17)8-3-4-8/h1-2,5,8,16H,3-4,6-7H2,(H2,13,20)(H,15,17)
InChIKeyDDRRSSQMISSRRM-UHFFFAOYSA-N
XLogP-0.48
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
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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Related Compounds

2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 106596660
3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106596886
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-(2-methylsulfanylethylsulfamoyl)pyridine-2-carbothioamide
CID 106597383
3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106597230
ethyl 3-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]propanoate
CID 106597141
3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597777
N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 47113517
3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide
CID 106596618
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145151
3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597364
3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597414

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide (CID 106597853) is N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide is NC(=S)c1ncccc1S(=O)(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is DDRRSSQMISSRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c13-11(20)10-9(2-1-5-14-10)21(18,19)16-7-6-15-12(17)8-3-4-8/h1-2,5,8,16H,3-4,6-7H2,(H2,13,20)(H,15,17).
What are the key properties of N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 328.42 g/mol, XLogP of -0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 106597853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).