(1R)-1-amino-3-sulfanylpropane-1-sulfonic acid

C3H9NO3S2 — CID 21252279

IUPAC(1R)-1-amino-3-sulfanylpropane-1-sulfonic acid
SMILESN[C@@H](CCS)S(=O)(=O)O
InChIInChI=1S/C3H9NO3S2/c4-3(1-2-8)9(5,6)7/h3,8H,1-2,4H2,(H,5,6,7)/t3-/m1/s1
InChIKeyMHHDKRFQNZZMOE-GSVOUGTGSA-N
MW171.24 g/mol
LogP-0.52
Rot. Bonds3

About (1R)-1-amino-3-sulfanylpropane-1-sulfonic acid

(1R)-1-amino-3-sulfanylpropane-1-sulfonic acid (PubChem CID 21252279) has the molecular formula C3H9NO3S2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1R)-1-amino-3-sulfanylpropane-1-sulfonic acid.

Molecular Properties

Compound Name(1R)-1-amino-3-sulfanylpropane-1-sulfonic acid
PubChem CID21252279
Molecular FormulaC3H9NO3S2
Molecular Weight171.24 g/mol
Exact Mass171.00
IUPAC Name(1R)-1-amino-3-sulfanylpropane-1-sulfonic acid
SMILESN[C@@H](CCS)S(=O)(=O)O
InChIInChI=1S/C3H9NO3S2/c4-3(1-2-8)9(5,6)7/h3,8H,1-2,4H2,(H,5,6,7)/t3-/m1/s1
InChIKeyMHHDKRFQNZZMOE-GSVOUGTGSA-N
XLogP-0.52
TPSA80.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Tramiprosate
CID 1646
Homohypotaurine
CID 193060
(3S)-3-Amino-4-sulfanylbutane-1-sulfonic acid
CID 10058237
Sodium;3-aminopropane-1-sulfonic acid;hydrate
CID 25163030
Taurine Hydrochloride
CID 22174439
1-Aminoethanesulfonic acid
CID 344570
1-Amino-1-butanesulfonic acid
CID 344577
CID 22799755
CID 22799755
4-Aminobutanesulfonic acid
CID 3014806
Sodium 3-aminopropane-1-sulfonic acid
CID 53429901
3-Aminopropanesulfonic acid sodium salt
CID 71431022
Homothiotaurine
CID 191044

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-3-sulfanylpropane-1-sulfonic acid?
The IUPAC name of (1R)-1-amino-3-sulfanylpropane-1-sulfonic acid (CID 21252279) is (1R)-1-amino-3-sulfanylpropane-1-sulfonic acid.
What is the SMILES notation for (1R)-1-amino-3-sulfanylpropane-1-sulfonic acid?
The canonical SMILES for (1R)-1-amino-3-sulfanylpropane-1-sulfonic acid is N[C@@H](CCS)S(=O)(=O)O.
What is the InChIKey of (1R)-1-amino-3-sulfanylpropane-1-sulfonic acid?
The InChIKey is MHHDKRFQNZZMOE-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H9NO3S2/c4-3(1-2-8)9(5,6)7/h3,8H,1-2,4H2,(H,5,6,7)/t3-/m1/s1.
What are the key properties of (1R)-1-amino-3-sulfanylpropane-1-sulfonic acid?
(1R)-1-amino-3-sulfanylpropane-1-sulfonic acid has a molecular weight of 171.24 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-3-sulfanylpropane-1-sulfonic acid is sourced from PubChem (CID 21252279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).