1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol

C15H31NO4S — CID 79562330

IUPAC1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol
SMILESCC1CCC(OCC(O)CNCC(C)(C)S(C)(=O)=O)CC1
InChIInChI=1S/C15H31NO4S/c1-12-5-7-14(8-6-12)20-10-13(17)9-16-11-15(2,3)21(4,18)19/h12-14,16-17H,5-11H2,1-4H3
InChIKeyZJNZKSWPYTXXID-UHFFFAOYSA-N
MW321.48 g/mol
LogP1.36
Rot. Bonds8

About 1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol

1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol (PubChem CID 79562330) has the molecular formula C15H31NO4S and a molecular weight of 321.48 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol
PubChem CID79562330
Molecular FormulaC15H31NO4S
Molecular Weight321.48 g/mol
Exact Mass321.20
IUPAC Name1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol
SMILESCC1CCC(OCC(O)CNCC(C)(C)S(C)(=O)=O)CC1
InChIInChI=1S/C15H31NO4S/c1-12-5-7-14(8-6-12)20-10-13(17)9-16-11-15(2,3)21(4,18)19/h12-14,16-17H,5-11H2,1-4H3
InChIKeyZJNZKSWPYTXXID-UHFFFAOYSA-N
XLogP1.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291617
2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176234
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964882
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-cyclopentyloxy-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941871
1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045618
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol?
The IUPAC name of 1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol (CID 79562330) is 1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol is CC1CCC(OCC(O)CNCC(C)(C)S(C)(=O)=O)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol?
The InChIKey is ZJNZKSWPYTXXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4S/c1-12-5-7-14(8-6-12)20-10-13(17)9-16-11-15(2,3)21(4,18)19/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol?
1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol has a molecular weight of 321.48 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol is sourced from PubChem (CID 79562330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).