2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol

C8H17NO3S — CID 153296040

IUPAC2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)C1CCC(CN)C(O)C1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)7-3-2-6(5-9)8(10)4-7/h6-8,10H,2-5,9H2,1H3
InChIKeyGYXNYNPAMFCLRH-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.48
Rot. Bonds2

About 2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol

2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol (PubChem CID 153296040) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol
PubChem CID153296040
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)C1CCC(CN)C(O)C1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)7-3-2-6(5-9)8(10)4-7/h6-8,10H,2-5,9H2,1H3
InChIKeyGYXNYNPAMFCLRH-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S,4S)-1-(aminomethyl)-4-methylsulfonylcyclohexane-1,2-diol
CID 155797851
[2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine
CID 81010799
(3-methylsulfonylcyclobutyl)methanamine
CID 115012872
trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid
CID 99962548
cis-(1S,3R)-3-methylsulfonylcyclopentane-1-carbothioamide
CID 99997742
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol
CID 140519074
2-amino-1-(3-methylsulfonylcyclohexyl)ethanone
CID 116548386
trans-(1S,3S)-3-methylsulfonylcyclopentane-1-carbonitrile
CID 99997434
3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol
CID 114511142
[5-(aminomethyl)oxolan-2-yl]-(3-methylsulfonylcyclohexyl)methanone
CID 116589106
[4-(2-methylbutan-2-yl)-2-methylsulfonylcyclohexyl]methanamine
CID 64698061

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol (CID 153296040) is 2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol is CS(=O)(=O)C1CCC(CN)C(O)C1.
What is the InChIKey of 2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol?
The InChIKey is GYXNYNPAMFCLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13(11,12)7-3-2-6(5-9)8(10)4-7/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol?
2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol has a molecular weight of 207.29 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol is sourced from PubChem (CID 153296040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).