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

C6H15NO2S — CID 130923888

IUPACN-(3-hydroxy-3-methylbutyl)methanesulfinamide
SMILESCS(=O)NCCC(C)(C)O
InChIInChI=1S/C6H15NO2S/c1-6(2,8)4-5-7-10(3)9/h7-8H,4-5H2,1-3H3
InChIKeyFEYSAMSUFYWHHG-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.03
Rot. Bonds4

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

N-(3-hydroxy-3-methylbutyl)methanesulfinamide (PubChem CID 130923888) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylbutyl)methanesulfinamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylbutyl)methanesulfinamide
PubChem CID130923888
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-(3-hydroxy-3-methylbutyl)methanesulfinamide
SMILESCS(=O)NCCC(C)(C)O
InChIInChI=1S/C6H15NO2S/c1-6(2,8)4-5-7-10(3)9/h7-8H,4-5H2,1-3H3
InChIKeyFEYSAMSUFYWHHG-UHFFFAOYSA-N
XLogP0.03
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 ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol
CID 79356294
2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide
CID 130570453
2-(hydroxymethyl)-2-[(3-hydroxy-3-methylbutyl)amino]propane-1,3-diol
CID 107852406
4-hydroxy-N,4-dimethylpentanamide
CID 131039941
methyl 2-[(3-hydroxy-3-methylbutyl)amino]acetate
CID 79360422
3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide
CID 106276316
2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol
CID 79551403
methyl 3-[(3-hydroxy-3-methylbutyl)amino]propanoate
CID 79360276
3-[(3-hydroxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 79355887
2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid
CID 79355808
ethane;N-(3-hydroxy-3-methylbutyl)formamide;N-methylpropan-2-amine
CID 176960936
potassium 4-hydroxy-4-methylpentanoate
CID 75421081

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylbutyl)methanesulfinamide?
The IUPAC name of N-(3-hydroxy-3-methylbutyl)methanesulfinamide (CID 130923888) is N-(3-hydroxy-3-methylbutyl)methanesulfinamide.
What is the SMILES notation for N-(3-hydroxy-3-methylbutyl)methanesulfinamide?
The canonical SMILES for N-(3-hydroxy-3-methylbutyl)methanesulfinamide is CS(=O)NCCC(C)(C)O.
What is the InChIKey of N-(3-hydroxy-3-methylbutyl)methanesulfinamide?
The InChIKey is FEYSAMSUFYWHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-6(2,8)4-5-7-10(3)9/h7-8H,4-5H2,1-3H3.
What are the key properties of N-(3-hydroxy-3-methylbutyl)methanesulfinamide?
N-(3-hydroxy-3-methylbutyl)methanesulfinamide has a molecular weight of 165.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylbutyl)methanesulfinamide is sourced from PubChem (CID 130923888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).