1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide

C9H13N3O3S — CID 146490554

IUPAC1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide
SMILESNn1cccc(C(=O)NC[C@H](O)CO)c1=S
InChIInChI=1S/C9H13N3O3S/c10-12-3-1-2-7(9(12)16)8(15)11-4-6(14)5-13/h1-3,6,13-14H,4-5,10H2,(H,11,15)/t6-/m0/s1
InChIKeyYQAARMRVCFWEOW-LURJTMIESA-N
MW243.29 g/mol
LogP-0.99
Rot. Bonds4

About 1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide

1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide (PubChem CID 146490554) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide
PubChem CID146490554
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide
SMILESNn1cccc(C(=O)NC[C@H](O)CO)c1=S
InChIInChI=1S/C9H13N3O3S/c10-12-3-1-2-7(9(12)16)8(15)11-4-6(14)5-13/h1-3,6,13-14H,4-5,10H2,(H,11,15)/t6-/m0/s1
InChIKeyYQAARMRVCFWEOW-LURJTMIESA-N
XLogP-0.99
TPSA100.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537340
N-(2,3-dihydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537452
1-(2,3-Dihydroxypropyl)-2-sulfanylidenepyridine-3-carboxamide
CID 146452051
N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide
CID 166919314
N-(2-hydroxybutyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 170637730
N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66176889
1-(2,3-Dihydroxypropyl)-2-oxopyridine-3-carbothioamide
CID 107017924
N-(2-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 110886952
N-(3-hydroxybutyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111433753

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide?
The IUPAC name of 1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide (CID 146490554) is 1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide.
What is the SMILES notation for 1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide?
The canonical SMILES for 1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide is Nn1cccc(C(=O)NC[C@H](O)CO)c1=S.
What is the InChIKey of 1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide?
The InChIKey is YQAARMRVCFWEOW-LURJTMIESA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-12-3-1-2-7(9(12)16)8(15)11-4-6(14)5-13/h1-3,6,13-14H,4-5,10H2,(H,11,15)/t6-/m0/s1.
What are the key properties of 1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide?
1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide has a molecular weight of 243.29 g/mol, XLogP of -0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2S)-2,3-dihydroxypropyl]-2-sulfanylidenepyridine-3-carboxamide is sourced from PubChem (CID 146490554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).