1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol

C9H19NO3S — CID 126578110

IUPAC1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol
SMILESCNCC1(O)CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO3S/c1-10-7-9(11)5-3-8(4-6-9)14(2,12)13/h8,10-11H,3-7H2,1-2H3
InChIKeyFUJUSMDZMYCWKZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.08
Rot. Bonds3

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

1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol (PubChem CID 126578110) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol
PubChem CID126578110
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol
SMILESCNCC1(O)CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO3S/c1-10-7-9(11)5-3-8(4-6-9)14(2,12)13/h8,10-11H,3-7H2,1-2H3
InChIKeyFUJUSMDZMYCWKZ-UHFFFAOYSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Aminomethyl)-4-methylsulfonylcyclohexan-1-ol
CID 126578182
1-(Aminomethyl)-4-(methylsulfonyl)cyclohexanol hydrochloride
CID 146279083
tert-butyl N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]carbamate
CID 146285820
1-[(Chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol
CID 146285880
1-(2-Aminoethyl)-4-methylsulfonylcyclohexan-1-ol
CID 148934710
(1-Hydroxy-4-methylsulfonylcyclohexyl)methylcarbamic acid
CID 156231036
1-[[(1,1-Dioxothiolan-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 54914548
1-[[(1,1-Dioxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 54937546
3-{[(1-Hydroxycyclohexyl)methyl]amino}-1lambda6-thiolane-1,1-dione
CID 60897813
1-[(2-Methylsulfonylethylamino)methyl]cyclohexan-1-ol
CID 60918807
1-[(3-Methylsulfonylpropylamino)methyl]cyclohexan-1-ol
CID 61019625
1-[[(3-Methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 61855973

Frequently Asked Questions

What is the IUPAC name of 1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol?
The IUPAC name of 1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol (CID 126578110) is 1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol.
What is the SMILES notation for 1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol?
The canonical SMILES for 1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol is CNCC1(O)CCC(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol?
The InChIKey is FUJUSMDZMYCWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-10-7-9(11)5-3-8(4-6-9)14(2,12)13/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol?
1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol has a molecular weight of 221.32 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylaminomethyl)-4-methylsulfonylcyclohexan-1-ol is sourced from PubChem (CID 126578110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).