(2S)-2,3-diamino-3-sulfanylpropanamide

C3H9N3OS — CID 88971531

IUPAC(2S)-2,3-diamino-3-sulfanylpropanamide
SMILESNC(=O)[C@H](N)C(N)S
InChIInChI=1S/C3H9N3OS/c4-1(2(5)7)3(6)8/h1,3,8H,4,6H2,(H2,5,7)/t1-,3?/m0/s1
InChIKeyWEUJYQSXFPCDFG-QJRUMKIFSA-N
MW135.19 g/mol
LogP-1.99
Rot. Bonds2

About (2S)-2,3-diamino-3-sulfanylpropanamide

(2S)-2,3-diamino-3-sulfanylpropanamide (PubChem CID 88971531) has the molecular formula C3H9N3OS and a molecular weight of 135.19 g/mol. Its IUPAC name is (2S)-2,3-diamino-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-2,3-diamino-3-sulfanylpropanamide
PubChem CID88971531
Molecular FormulaC3H9N3OS
Molecular Weight135.19 g/mol
Exact Mass135.05
IUPAC Name(2S)-2,3-diamino-3-sulfanylpropanamide
SMILESNC(=O)[C@H](N)C(N)S
InChIInChI=1S/C3H9N3OS/c4-1(2(5)7)3(6)8/h1,3,8H,4,6H2,(H2,5,7)/t1-,3?/m0/s1
InChIKeyWEUJYQSXFPCDFG-QJRUMKIFSA-N
XLogP-1.99
TPSA95.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate
CID 24804515
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
(2R,3S)-2-amino-3-chlorobutanamide
CID 71420306
2-amino-3,3-dimethoxypropanamide
CID 143903860
(2R)-2-methyl-3-sulfanylbutanamide
CID 177036922
2-methyl-3-sulfanylbutanamide
CID 87275807
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
(2S)-2-amino-3-methylpentanamide
CID 10290817
3-amino-2-sulfanylpropanamide
CID 130829110
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
(2R)-2-amino-3-silylpentanamide
CID 174157180
2-aminopropanamide;ethane
CID 156828005

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-diamino-3-sulfanylpropanamide?
The IUPAC name of (2S)-2,3-diamino-3-sulfanylpropanamide (CID 88971531) is (2S)-2,3-diamino-3-sulfanylpropanamide.
What is the SMILES notation for (2S)-2,3-diamino-3-sulfanylpropanamide?
The canonical SMILES for (2S)-2,3-diamino-3-sulfanylpropanamide is NC(=O)[C@H](N)C(N)S.
What is the InChIKey of (2S)-2,3-diamino-3-sulfanylpropanamide?
The InChIKey is WEUJYQSXFPCDFG-QJRUMKIFSA-N. The full InChI is InChI=1S/C3H9N3OS/c4-1(2(5)7)3(6)8/h1,3,8H,4,6H2,(H2,5,7)/t1-,3?/m0/s1.
What are the key properties of (2S)-2,3-diamino-3-sulfanylpropanamide?
(2S)-2,3-diamino-3-sulfanylpropanamide has a molecular weight of 135.19 g/mol, XLogP of -1.99, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-diamino-3-sulfanylpropanamide is sourced from PubChem (CID 88971531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).