3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol

C10H23NO3S — CID 106724486

IUPAC3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
SMILESCC(C)C(O)CNCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO3S/c1-8(2)10(12)7-11-5-6-15(13,14)9(3)4/h8-12H,5-7H2,1-4H3
InChIKeyVIMLXKNPWUGGCP-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.42
Rot. Bonds7

About 3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol

3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol (PubChem CID 106724486) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
PubChem CID106724486
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
SMILESCC(C)C(O)CNCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO3S/c1-8(2)10(12)7-11-5-6-15(13,14)9(3)4/h8-12H,5-7H2,1-4H3
InChIKeyVIMLXKNPWUGGCP-UHFFFAOYSA-N
XLogP0.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106731318
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
methyl 2-bromo-3-(2-propan-2-ylsulfonylethylamino)propanoate
CID 106731485
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
CID 64675618
1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734200
N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide
CID 106723197
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol?
The IUPAC name of 3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol (CID 106724486) is 3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol?
The canonical SMILES for 3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol is CC(C)C(O)CNCCS(=O)(=O)C(C)C.
What is the InChIKey of 3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol?
The InChIKey is VIMLXKNPWUGGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-8(2)10(12)7-11-5-6-15(13,14)9(3)4/h8-12H,5-7H2,1-4H3.
What are the key properties of 3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol?
3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol has a molecular weight of 237.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol is sourced from PubChem (CID 106724486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).