N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

C10H14N2O3S — CID 88537359

IUPACN,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc[nH]c1=S)N(CCO)CCO
InChIInChI=1S/C10H14N2O3S/c13-6-4-12(5-7-14)10(15)8-2-1-3-11-9(8)16/h1-3,13-14H,4-7H2,(H,11,16)
InChIKeyAMBCBMNNULFSBK-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.17
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 88537359) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID88537359
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC NameN,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc[nH]c1=S)N(CCO)CCO
InChIInChI=1S/C10H14N2O3S/c13-6-4-12(5-7-14)10(15)8-2-1-3-11-9(8)16/h1-3,13-14H,4-7H2,(H,11,16)
InChIKeyAMBCBMNNULFSBK-UHFFFAOYSA-N
XLogP0.17
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 88537359) is N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(c1ccc[nH]c1=S)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is AMBCBMNNULFSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c13-6-4-12(5-7-14)10(15)8-2-1-3-11-9(8)16/h1-3,13-14H,4-7H2,(H,11,16).
What are the key properties of N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 88537359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).