N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine

C12H23NO3S — CID 64716936

IUPACN-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine
SMILESCNC1CCCC(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C12H23NO3S/c1-13-10-3-2-4-12(9-10)17(14,15)11-5-7-16-8-6-11/h10-13H,2-9H2,1H3
InChIKeyTVRUJZSEHMMWER-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.11
Rot. Bonds3

About N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine

N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine (PubChem CID 64716936) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine
PubChem CID64716936
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine
SMILESCNC1CCCC(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C12H23NO3S/c1-13-10-3-2-4-12(9-10)17(14,15)11-5-7-16-8-6-11/h10-13H,2-9H2,1H3
InChIKeyTVRUJZSEHMMWER-UHFFFAOYSA-N
XLogP1.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine 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

N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717554
N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717552
N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676036
3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 55115171
N-methyl-3-(4-methylphenyl)sulfonylcyclohexan-1-amine
CID 64716296
N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine
CID 79862616
N-ethyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676033
3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
CID 107758035
N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine
CID 104760803
4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride
CID 162106745
ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane
CID 165438824

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine (CID 64716936) is N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine is CNC1CCCC(S(=O)(=O)C2CCOCC2)C1.
What is the InChIKey of N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine?
The InChIKey is TVRUJZSEHMMWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-13-10-3-2-4-12(9-10)17(14,15)11-5-7-16-8-6-11/h10-13H,2-9H2,1H3.
What are the key properties of N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine?
N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine is sourced from PubChem (CID 64716936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).