1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol

C10H21NO3S — CID 115476741

IUPAC1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol
SMILESCC1CCCC(S(=O)(=O)CC(O)CN)C1
InChIInChI=1S/C10H21NO3S/c1-8-3-2-4-10(5-8)15(13,14)7-9(12)6-11/h8-10,12H,2-7,11H2,1H3
InChIKeyCRFIYCBXJKRDPI-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.30
Rot. Bonds4

About 1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol

1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol (PubChem CID 115476741) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol
PubChem CID115476741
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol
SMILESCC1CCCC(S(=O)(=O)CC(O)CN)C1
InChIInChI=1S/C10H21NO3S/c1-8-3-2-4-10(5-8)15(13,14)7-9(12)6-11/h8-10,12H,2-7,11H2,1H3
InChIKeyCRFIYCBXJKRDPI-UHFFFAOYSA-N
XLogP0.30
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine
CID 64676231
N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine
CID 64675839
ethyl 2-(3-methylcyclohexyl)sulfonylacetate
CID 62720621
4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 55115171
N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine
CID 64676229
1-(6-chlorohexylsulfonyl)-3-methylcyclohexane
CID 62723136
2-[1-[(3-methylcyclohexyl)sulfonylmethyl]cyclopropyl]acetic acid
CID 65442326
ethyl 2-(3-methylcyclohexyl)sulfonylbutanoate
CID 64661072
N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717554
4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64676428
methyl 2-methyl-3-(3-methylcyclohexyl)sulfonylbutanoate
CID 79392239
4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride
CID 162106745

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol?
The IUPAC name of 1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol (CID 115476741) is 1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol is CC1CCCC(S(=O)(=O)CC(O)CN)C1.
What is the InChIKey of 1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol?
The InChIKey is CRFIYCBXJKRDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8-3-2-4-10(5-8)15(13,14)7-9(12)6-11/h8-10,12H,2-7,11H2,1H3.
What are the key properties of 1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol?
1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol has a molecular weight of 235.35 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol is sourced from PubChem (CID 115476741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).