N-(2-hydroxy-3-methylbutyl)methanesulfinamide

C6H15NO2S — CID 127006167

IUPACN-(2-hydroxy-3-methylbutyl)methanesulfinamide
SMILESCC(C)C(O)CNS(C)=O
InChIInChI=1S/C6H15NO2S/c1-5(2)6(8)4-7-10(3)9/h5-8H,4H2,1-3H3
InChIKeySHCMISJQEMBUIU-UHFFFAOYSA-N
MW165.26 g/mol
LogP-0.11
Rot. Bonds4

About N-(2-hydroxy-3-methylbutyl)methanesulfinamide

N-(2-hydroxy-3-methylbutyl)methanesulfinamide (PubChem CID 127006167) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)methanesulfinamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)methanesulfinamide
PubChem CID127006167
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-(2-hydroxy-3-methylbutyl)methanesulfinamide
SMILESCC(C)C(O)CNS(C)=O
InChIInChI=1S/C6H15NO2S/c1-5(2)6(8)4-7-10(3)9/h5-8H,4H2,1-3H3
InChIKeySHCMISJQEMBUIU-UHFFFAOYSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)methanesulfinamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)methanesulfinamide (CID 127006167) is N-(2-hydroxy-3-methylbutyl)methanesulfinamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)methanesulfinamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)methanesulfinamide is CC(C)C(O)CNS(C)=O.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)methanesulfinamide?
The InChIKey is SHCMISJQEMBUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-5(2)6(8)4-7-10(3)9/h5-8H,4H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methylbutyl)methanesulfinamide?
N-(2-hydroxy-3-methylbutyl)methanesulfinamide has a molecular weight of 165.26 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)methanesulfinamide is sourced from PubChem (CID 127006167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).