(2R)-2-amino-3-iminopropane-1-thiol

C3H8N2S — CID 90753245

IUPAC(2R)-2-amino-3-iminopropane-1-thiol
SMILES[H]/N=C/[C@@H](N)CS
InChIInChI=1S/C3H8N2S/c4-1-3(5)2-6/h1,3-4,6H,2,5H2/b4-1+/t3-/m1/s1
InChIKeyCOPIIQFJCVUYIE-OKGOMYSLSA-N
MW104.18 g/mol
LogP-0.11
Rot. Bonds2

About (2R)-2-amino-3-iminopropane-1-thiol

(2R)-2-amino-3-iminopropane-1-thiol (PubChem CID 90753245) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is (2R)-2-amino-3-iminopropane-1-thiol.

Molecular Properties

Compound Name(2R)-2-amino-3-iminopropane-1-thiol
PubChem CID90753245
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC Name(2R)-2-amino-3-iminopropane-1-thiol
SMILES[H]/N=C/[C@@H](N)CS
InChIInChI=1S/C3H8N2S/c4-1-3(5)2-6/h1,3-4,6H,2,5H2/b4-1+/t3-/m1/s1
InChIKeyCOPIIQFJCVUYIE-OKGOMYSLSA-N
XLogP-0.11
TPSA49.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methanimidoyl-3-sulfanylpropanoic acid
CID 170261019
5-imino-4-methylpentan-2-amine
CID 123629957
3-iminopropane-1,1-diamine
CID 123272207
3-amino-2,4-diiminobutanoic acid
CID 22352981
2-(hydroxymethyl)-3-iminopropanamide
CID 123742041
3-methanimidoylpentane-1,5-diol
CID 91152734
(4R)-1-cyclopentyl-5-imino-4-methylpentan-2-amine
CID 163453618
2-ethoxypropane-1,3-diimine
CID 123387663
4-chloro-2,3-dimethylbutan-1-imine
CID 135137361
2-fluoro-3-iminopropanamide
CID 123604570
4-imino-3-iodobut-1-en-2-amine
CID 129077114
(2S)-4-bromo-2-fluorobutan-1-imine
CID 144573245

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-iminopropane-1-thiol?
The IUPAC name of (2R)-2-amino-3-iminopropane-1-thiol (CID 90753245) is (2R)-2-amino-3-iminopropane-1-thiol.
What is the SMILES notation for (2R)-2-amino-3-iminopropane-1-thiol?
The canonical SMILES for (2R)-2-amino-3-iminopropane-1-thiol is [H]/N=C/[C@@H](N)CS.
What is the InChIKey of (2R)-2-amino-3-iminopropane-1-thiol?
The InChIKey is COPIIQFJCVUYIE-OKGOMYSLSA-N. The full InChI is InChI=1S/C3H8N2S/c4-1-3(5)2-6/h1,3-4,6H,2,5H2/b4-1+/t3-/m1/s1.
What are the key properties of (2R)-2-amino-3-iminopropane-1-thiol?
(2R)-2-amino-3-iminopropane-1-thiol has a molecular weight of 104.18 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-iminopropane-1-thiol is sourced from PubChem (CID 90753245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).