N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide

C9H19NO3S — CID 107033569

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)NC(C)(CO)CO
InChIInChI=1S/C9H19NO3S/c1-6(2)7(14)8(13)10-9(3,4-11)5-12/h6-7,11-12,14H,4-5H2,1-3H3,(H,10,13)
InChIKeyUHUGTSWJFDTVPP-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.20
Rot. Bonds5

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide (PubChem CID 107033569) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide
PubChem CID107033569
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)NC(C)(CO)CO
InChIInChI=1S/C9H19NO3S/c1-6(2)7(14)8(13)10-9(3,4-11)5-12/h6-7,11-12,14H,4-5H2,1-3H3,(H,10,13)
InChIKeyUHUGTSWJFDTVPP-UHFFFAOYSA-N
XLogP-0.20
TPSA69.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide
CID 104520531
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-sulfanylbutanamide
CID 106173312
(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64549101
3-methyl-2-sulfanyl-N-(2,3,3-trimethylbutyl)butanamide
CID 107034108
N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide
CID 107029573
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-2-sulfanylbutanamide
CID 106149644
3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide
CID 107032215
N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide
CID 89195106
2-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64557769
N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide
CID 115776855
(2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 104898280
(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328618

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide (CID 107033569) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide is CC(C)C(S)C(=O)NC(C)(CO)CO.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide?
The InChIKey is UHUGTSWJFDTVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-6(2)7(14)8(13)10-9(3,4-11)5-12/h6-7,11-12,14H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide has a molecular weight of 221.32 g/mol, XLogP of -0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide is sourced from PubChem (CID 107033569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).