(2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide

C8H10N4OS — CID 92864041

IUPAC(2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide
SMILESNC(=O)[C@H](Nc1cccnc1)C(N)=S
InChIInChI=1S/C8H10N4OS/c9-7(13)6(8(10)14)12-5-2-1-3-11-4-5/h1-4,6,12H,(H2,9,13)(H2,10,14)/t6-/m0/s1
InChIKeyPYXTYBIJFYJQTB-LURJTMIESA-N
MW210.26 g/mol
LogP-0.37
Rot. Bonds4

About (2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide

(2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide (PubChem CID 92864041) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is (2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name(2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide
PubChem CID92864041
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name(2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide
SMILESNC(=O)[C@H](Nc1cccnc1)C(N)=S
InChIInChI=1S/C8H10N4OS/c9-7(13)6(8(10)14)12-5-2-1-3-11-4-5/h1-4,6,12H,(H2,9,13)(H2,10,14)/t6-/m0/s1
InChIKeyPYXTYBIJFYJQTB-LURJTMIESA-N
XLogP-0.37
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyridin-3-ylthiourea
CID 2760515
(pyridin-3-ylamino)thiourea
CID 3571447
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
boric acid;pyridin-3-ylurea
CID 175497836
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
CID 59166574
5-carbamothioyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 63723754
methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate
CID 11230271
(4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one
CID 71023963
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
2-(pyridin-3-ylamino)butanoic acid
CID 90735092
2,2-difluoro-N-pyridin-3-ylacetamide
CID 103600571

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide?
The IUPAC name of (2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide (CID 92864041) is (2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide.
What is the SMILES notation for (2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide?
The canonical SMILES for (2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide is NC(=O)[C@H](Nc1cccnc1)C(N)=S.
What is the InChIKey of (2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide?
The InChIKey is PYXTYBIJFYJQTB-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N4OS/c9-7(13)6(8(10)14)12-5-2-1-3-11-4-5/h1-4,6,12H,(H2,9,13)(H2,10,14)/t6-/m0/s1.
What are the key properties of (2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide?
(2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide has a molecular weight of 210.26 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide is sourced from PubChem (CID 92864041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).