4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid

C6H9NO2S — CID 45084935

IUPAC4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid
SMILESNC1C=CSCC1C(=O)O
InChIInChI=1S/C6H9NO2S/c7-5-1-2-10-3-4(5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)
InChIKeySULNPTKTMKMTTC-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.28
Rot. Bonds1

About 4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid

4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid (PubChem CID 45084935) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid
PubChem CID45084935
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid
SMILESNC1C=CSCC1C(=O)O
InChIInChI=1S/C6H9NO2S/c7-5-1-2-10-3-4(5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)
InChIKeySULNPTKTMKMTTC-UHFFFAOYSA-N
XLogP0.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-aminocyclohex-3-ene-1-carboxylic acid
CID 7016465
4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961
(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid
CID 130643029
(1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide
CID 11564961
ethyl 2,3-dihydrothiophene-3-carboxylate
CID 13430681
(1S,6S)-6-aminocyclohex-3-ene-1-carboxylic acid
CID 7015734
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
(1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride
CID 2734694
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(2R)-cyclohex-4-ene-1,2-dicarboxylic acid
CID 59116144

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid?
The IUPAC name of 4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid (CID 45084935) is 4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid.
What is the SMILES notation for 4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid?
The canonical SMILES for 4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid is NC1C=CSCC1C(=O)O.
What is the InChIKey of 4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid?
The InChIKey is SULNPTKTMKMTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c7-5-1-2-10-3-4(5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9).
What are the key properties of 4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid?
4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid has a molecular weight of 159.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid is sourced from PubChem (CID 45084935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).