2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide

C12H25NO2S — CID 66103606

IUPAC2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)SCC(C)CO
InChIInChI=1S/C12H25NO2S/c1-6-12(4,5)13-11(15)10(3)16-8-9(2)7-14/h9-10,14H,6-8H2,1-5H3,(H,13,15)
InChIKeyHYUDYRBSKYISSU-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.04
Rot. Bonds7

About 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide

2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide (PubChem CID 66103606) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
PubChem CID66103606
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)SCC(C)CO
InChIInChI=1S/C12H25NO2S/c1-6-12(4,5)13-11(15)10(3)16-8-9(2)7-14/h9-10,14H,6-8H2,1-5H3,(H,13,15)
InChIKeyHYUDYRBSKYISSU-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 66106056
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
(2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 106443528
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate
CID 137320952
N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111463922
2-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922
2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 43302653
3-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 87908743
2-(3-hydroxypropylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43416442
2-(4-hydroxybutan-2-ylamino)-N-(2-methylbutan-2-yl)propanamide
CID 83176935
N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide
CID 43112752

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide (CID 66103606) is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)SCC(C)CO.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is HYUDYRBSKYISSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-6-12(4,5)13-11(15)10(3)16-8-9(2)7-14/h9-10,14H,6-8H2,1-5H3,(H,13,15).
What are the key properties of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide?
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 247.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 66103606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).