N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine

C13H26N2O2S — CID 43432065

IUPACN-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine
SMILESCC1CCCC(NC2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H26N2O2S/c1-11-4-3-5-13(10-11)14-12-6-8-15(9-7-12)18(2,16)17/h11-14H,3-10H2,1-2H3
InChIKeyQBYRBMWQBFYDHB-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.58
Rot. Bonds3

About N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine

N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 43432065) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID43432065
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine
SMILESCC1CCCC(NC2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H26N2O2S/c1-11-4-3-5-13(10-11)14-12-6-8-15(9-7-12)18(2,16)17/h11-14H,3-10H2,1-2H3
InChIKeyQBYRBMWQBFYDHB-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 113260472
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64757172
cis-(1R,3S)-3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile
CID 124624665
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine
CID 65044453
N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65074446
N-[(1S,3R)-3-methylcyclohexyl]-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide
CID 97254979
N-methyl-2-[4-[(3-methylcyclohexyl)amino]piperidin-1-yl]acetamide
CID 43435274
N-(3-methylcyclohexyl)-1-propylazepan-4-amine
CID 65074489
N-(3-methylcyclohexyl)thian-4-amine
CID 43428241
1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79895699
2-methoxy-1-[4-[(3-methylcyclohexyl)amino]piperidin-1-yl]ethanone
CID 43747559

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine (CID 43432065) is N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine is CC1CCCC(NC2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is QBYRBMWQBFYDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-11-4-3-5-13(10-11)14-12-6-8-15(9-7-12)18(2,16)17/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine?
N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 274.43 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43432065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).