2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide

C10H21NO2S — CID 155424122

IUPAC2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide
SMILESCC(C)SCNC(=O)C(O)C(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-7(2)14-6-11-9(13)8(12)10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)
InChIKeyRSZURFDHWMEATK-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.61
Rot. Bonds4

About 2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide

2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide (PubChem CID 155424122) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide.

Molecular Properties

Compound Name2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide
PubChem CID155424122
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide
SMILESCC(C)SCNC(=O)C(O)C(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-7(2)14-6-11-9(13)8(12)10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)
InChIKeyRSZURFDHWMEATK-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide?
The IUPAC name of 2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide (CID 155424122) is 2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide.
What is the SMILES notation for 2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide?
The canonical SMILES for 2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide is CC(C)SCNC(=O)C(O)C(C)(C)C.
What is the InChIKey of 2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide?
The InChIKey is RSZURFDHWMEATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-7(2)14-6-11-9(13)8(12)10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13).
What are the key properties of 2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide?
2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide has a molecular weight of 219.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide is sourced from PubChem (CID 155424122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).