(2R)-2-aminopropanethioamide

C3H8N2S — CID 55285662

IUPAC(2R)-2-aminopropanethioamide
SMILESC[C@@H](N)C(N)=S
InChIInChI=1S/C3H8N2S/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m1/s1
InChIKeyDFOUVXZLAJTTNU-UWTATZPHSA-N
MW104.18 g/mol
LogP-0.38
Rot. Bonds1

About (2R)-2-aminopropanethioamide

(2R)-2-aminopropanethioamide (PubChem CID 55285662) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is (2R)-2-aminopropanethioamide.

Molecular Properties

Compound Name(2R)-2-aminopropanethioamide
PubChem CID55285662
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC Name(2R)-2-aminopropanethioamide
SMILESC[C@@H](N)C(N)=S
InChIInChI=1S/C3H8N2S/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m1/s1
InChIKeyDFOUVXZLAJTTNU-UWTATZPHSA-N
XLogP-0.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminopropanethioamide?
The IUPAC name of (2R)-2-aminopropanethioamide (CID 55285662) is (2R)-2-aminopropanethioamide.
What is the SMILES notation for (2R)-2-aminopropanethioamide?
The canonical SMILES for (2R)-2-aminopropanethioamide is C[C@@H](N)C(N)=S.
What is the InChIKey of (2R)-2-aminopropanethioamide?
The InChIKey is DFOUVXZLAJTTNU-UWTATZPHSA-N. The full InChI is InChI=1S/C3H8N2S/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m1/s1.
What are the key properties of (2R)-2-aminopropanethioamide?
(2R)-2-aminopropanethioamide has a molecular weight of 104.18 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminopropanethioamide is sourced from PubChem (CID 55285662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).