N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

C8H11N3OS — CID 130634637

IUPACN-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNCCNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C8H11N3OS/c9-3-5-10-7(12)6-2-1-4-11-8(6)13/h1-2,4H,3,5,9H2,(H,10,12)(H,11,13)
InChIKeyVZVXYCJVPQOHPP-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.43
Rot. Bonds3

About N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 130634637) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID130634637
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC NameN-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNCCNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C8H11N3OS/c9-3-5-10-7(12)6-2-1-4-11-8(6)13/h1-2,4H,3,5,9H2,(H,10,12)(H,11,13)
InChIKeyVZVXYCJVPQOHPP-UHFFFAOYSA-N
XLogP0.43
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 78855806
N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 9398159
2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]ethyl nitrate
CID 18717838
N-(3-hydroxy-4-methylpentyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111461175
N-(2-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 110886952
N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38036526
N-(3-phenylsulfanylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43054344
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
N-(2-hydroxy-2-phenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111334735
N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167697
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 35991644
N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99701691

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 130634637) is N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is NCCNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is VZVXYCJVPQOHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-3-5-10-7(12)6-2-1-4-11-8(6)13/h1-2,4H,3,5,9H2,(H,10,12)(H,11,13).
What are the key properties of N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 130634637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).