(2R)-2-amino-N-(thian-4-yl)propanamide

C8H16N2OS — CID 103796198

IUPAC(2R)-2-amino-N-(thian-4-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1CCSCC1
InChIInChI=1S/C8H16N2OS/c1-6(9)8(11)10-7-2-4-12-5-3-7/h6-7H,2-5,9H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyXTCVTJPLLHHUNU-ZCFIWIBFSA-N
MW188.30 g/mol
LogP0.35
Rot. Bonds2

About (2R)-2-amino-N-(thian-4-yl)propanamide

(2R)-2-amino-N-(thian-4-yl)propanamide (PubChem CID 103796198) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is (2R)-2-amino-N-(thian-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(thian-4-yl)propanamide
PubChem CID103796198
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name(2R)-2-amino-N-(thian-4-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1CCSCC1
InChIInChI=1S/C8H16N2OS/c1-6(9)8(11)10-7-2-4-12-5-3-7/h6-7H,2-5,9H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyXTCVTJPLLHHUNU-ZCFIWIBFSA-N
XLogP0.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
CID 484333
2,5-Dimethyl-5,6-dihydro-2H-1,4-thiazin-3-ol
CID 95534
3,3'-thiobis[N-(sec-butyl)propanamide]
CID 2931410
(2R)-N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145981024
(2R)-2-acetamido-N-cyclohexyl-3-methylsulfanylpropanamide
CID 145990859
3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383075
(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045
S-[2-[[(2S)-2-aminopropanoyl]amino]ethyl] ethanethioate;hydrobromide
CID 18631475
S-[2-[[(2R)-2-acetamido-3-acetylsulfanyl-propanoyl]amino]ethyl] ethanethioate
CID 516558
Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, hydrobromide
CID 57215
3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-
CID 95532
2-acetamido-N-ethyl-3-(methylsulfanyl)propanamide
CID 13048727

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(thian-4-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(thian-4-yl)propanamide (CID 103796198) is (2R)-2-amino-N-(thian-4-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(thian-4-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(thian-4-yl)propanamide is C[C@@H](N)C(=O)NC1CCSCC1.
What is the InChIKey of (2R)-2-amino-N-(thian-4-yl)propanamide?
The InChIKey is XTCVTJPLLHHUNU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6(9)8(11)10-7-2-4-12-5-3-7/h6-7H,2-5,9H2,1H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-(thian-4-yl)propanamide?
(2R)-2-amino-N-(thian-4-yl)propanamide has a molecular weight of 188.30 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(thian-4-yl)propanamide is sourced from PubChem (CID 103796198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).