(2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide

C8H15NO2S — CID 130639197

IUPAC(2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NC1CSC1(C)C
InChIInChI=1S/C8H15NO2S/c1-5(10)7(11)9-6-4-12-8(6,2)3/h5-6,10H,4H2,1-3H3,(H,9,11)/t5-,6?/m0/s1
InChIKeyDJKZVUYEPIRJKK-ZBHICJROSA-N
MW189.28 g/mol
LogP0.38
Rot. Bonds2

About (2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide

(2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide (PubChem CID 130639197) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide
PubChem CID130639197
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NC1CSC1(C)C
InChIInChI=1S/C8H15NO2S/c1-5(10)7(11)9-6-4-12-8(6,2)3/h5-6,10H,4H2,1-3H3,(H,9,11)/t5-,6?/m0/s1
InChIKeyDJKZVUYEPIRJKK-ZBHICJROSA-N
XLogP0.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide?
The IUPAC name of (2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide (CID 130639197) is (2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide is C[C@H](O)C(=O)NC1CSC1(C)C.
What is the InChIKey of (2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide?
The InChIKey is DJKZVUYEPIRJKK-ZBHICJROSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-5(10)7(11)9-6-4-12-8(6,2)3/h5-6,10H,4H2,1-3H3,(H,9,11)/t5-,6?/m0/s1.
What are the key properties of (2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide?
(2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide has a molecular weight of 189.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide is sourced from PubChem (CID 130639197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).