1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol

C8H17NO3S — CID 126578182

IUPAC1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)C1CCC(O)(CN)CC1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)7-2-4-8(10,6-9)5-3-7/h7,10H,2-6,9H2,1H3
InChIKeyHSUGMWGUFCUIDT-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.34
Rot. Bonds2

About 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol

1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol (PubChem CID 126578182) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol
PubChem CID126578182
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)C1CCC(O)(CN)CC1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)7-2-4-8(10,6-9)5-3-7/h7,10H,2-6,9H2,1H3
InChIKeyHSUGMWGUFCUIDT-UHFFFAOYSA-N
XLogP-0.34
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 112406140
4-Amino-1-(methylsulfonylmethyl)cyclohexan-1-ol
CID 68310736
1-(Methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol
CID 126578110
1-(Aminomethyl)-4-(methylsulfonyl)cyclohexanol hydrochloride
CID 146279083
1-[(Chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol
CID 146285880
1-(2-Aminoethyl)-4-methylsulfonylcyclohexan-1-ol
CID 148934710
4-(Aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride
CID 153296028
1-[(3-Methylsulfonylpropylamino)methyl]cyclohexan-1-ol
CID 61019625
N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide
CID 64724784
N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 64724785
N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 64724990
1-Amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-2-ol
CID 64814646

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol (CID 126578182) is 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol is CS(=O)(=O)C1CCC(O)(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol?
The InChIKey is HSUGMWGUFCUIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13(11,12)7-2-4-8(10,6-9)5-3-7/h7,10H,2-6,9H2,1H3.
What are the key properties of 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol?
1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol has a molecular weight of 207.29 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol is sourced from PubChem (CID 126578182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).