N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide

C10H16N2O3S — CID 141330972

IUPACN,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide
SMILESO=C(C1=CC=CNC1S)N(CCO)CCO
InChIInChI=1S/C10H16N2O3S/c13-6-4-12(5-7-14)10(15)8-2-1-3-11-9(8)16/h1-3,9,11,13-14,16H,4-7H2
InChIKeyBRMMYUAXWMTCHA-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.90
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide

N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide (PubChem CID 141330972) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide
PubChem CID141330972
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide
SMILESO=C(C1=CC=CNC1S)N(CCO)CCO
InChIInChI=1S/C10H16N2O3S/c13-6-4-12(5-7-14)10(15)8-2-1-3-11-9(8)16/h1-3,9,11,13-14,16H,4-7H2
InChIKeyBRMMYUAXWMTCHA-UHFFFAOYSA-N
XLogP-0.90
TPSA72.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-3-sulfanylpropanamide
CID 177680873
N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 78856548
N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537340
N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537359
1-(2-Hydroxyethyl)-2-oxopyridine-3-carboxamide
CID 89857978
N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 129272774
1-(2,3-dihydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330969
1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330970
1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330981
1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330983
1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330993
N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330995

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide (CID 141330972) is N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide is O=C(C1=CC=CNC1S)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide?
The InChIKey is BRMMYUAXWMTCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-6-4-12(5-7-14)10(15)8-2-1-3-11-9(8)16/h1-3,9,11,13-14,16H,4-7H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide?
N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide has a molecular weight of 244.32 g/mol, XLogP of -0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 141330972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).