2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol

C13H27NO3S — CID 103993526

IUPAC2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol
SMILESCC(C)(O)C(C)(C)NC1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H27NO3S/c1-12(2,13(3,4)15)14-10-7-6-8-11(9-10)18(5,16)17/h10-11,14-15H,6-9H2,1-5H3
InChIKeyMOFZWEKASUBLLI-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.48
Rot. Bonds4

About 2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol

2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol (PubChem CID 103993526) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol
PubChem CID103993526
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol
SMILESCC(C)(O)C(C)(C)NC1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H27NO3S/c1-12(2,13(3,4)15)14-10-7-6-8-11(9-10)18(5,16)17/h10-11,14-15H,6-9H2,1-5H3
InChIKeyMOFZWEKASUBLLI-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103952729
N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine
CID 79032448
2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 115822140
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
N-(4-methylpent-1-yn-3-yl)-3-methylsulfonylcyclohexan-1-amine
CID 114202259
trans-(1R,3R)-N-(2-ethylbutyl)-3-methylsulfonylcyclohexan-1-amine
CID 97096018
3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
CID 113348677
3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 114147362
2-methyl-2-(3-methylsulfonylcyclohexyl)sulfonylpropanoic acid
CID 81227731
2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate
CID 83211078
N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine
CID 104531364
2-[3-[(3-methylsulfonylcyclohexyl)amino]propoxy]ethanol
CID 106309815

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol (CID 103993526) is 2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol is CC(C)(O)C(C)(C)NC1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol?
The InChIKey is MOFZWEKASUBLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-12(2,13(3,4)15)14-10-7-6-8-11(9-10)18(5,16)17/h10-11,14-15H,6-9H2,1-5H3.
What are the key properties of 2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol?
2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol has a molecular weight of 277.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 103993526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).