2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol

C12H25NO3S — CID 115927687

IUPAC2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol
SMILESCN(C1CCCC(S(C)(=O)=O)C1)C(C)(C)CO
InChIInChI=1S/C12H25NO3S/c1-12(2,9-14)13(3)10-6-5-7-11(8-10)17(4,15)16/h10-11,14H,5-9H2,1-4H3
InChIKeyCPHYVCRWTRNUHW-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.04
Rot. Bonds4

About 2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol

2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol (PubChem CID 115927687) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol
PubChem CID115927687
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol
SMILESCN(C1CCCC(S(C)(=O)=O)C1)C(C)(C)CO
InChIInChI=1S/C12H25NO3S/c1-12(2,9-14)13(3)10-6-5-7-11(8-10)17(4,15)16/h10-11,14H,5-9H2,1-4H3
InChIKeyCPHYVCRWTRNUHW-UHFFFAOYSA-N
XLogP1.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl(methyl)amino]-2-methylpropan-1-ol
CID 115133352
2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 115882663
2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol
CID 102636517
2-[2-(dimethylamino)ethyl-(3-methylsulfonylcyclohexyl)amino]acetic acid
CID 107425637
2-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-1-ol
CID 113351311
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
N'-methyl-N'-(3-methylsulfonylcyclohexyl)pentane-1,5-diamine
CID 107207165
2-amino-2-cyclopropyl-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116558440
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]cyclopentan-1-ol
CID 115773230
2-methyl-2-(3-methylsulfonylcyclohexyl)sulfonylpropanoic acid
CID 81227731
2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 115822140
3-(dimethylamino)-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 115345834

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol (CID 115927687) is 2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol is CN(C1CCCC(S(C)(=O)=O)C1)C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol?
The InChIKey is CPHYVCRWTRNUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-12(2,9-14)13(3)10-6-5-7-11(8-10)17(4,15)16/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol?
2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol has a molecular weight of 263.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 115927687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).