N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide

C12H26N2O2S — CID 103827919

IUPACN-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide
SMILESCC1CC(C)CC(NCCCNS(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-10-7-11(2)9-12(8-10)13-5-4-6-14-17(3,15)16/h10-14H,4-9H2,1-3H3
InChIKeyZUCYOQJQVNAXGT-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.34
Rot. Bonds6

About N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide

N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide (PubChem CID 103827919) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide
PubChem CID103827919
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide
SMILESCC1CC(C)CC(NCCCNS(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-10-7-11(2)9-12(8-10)13-5-4-6-14-17(3,15)16/h10-14H,4-9H2,1-3H3
InChIKeyZUCYOQJQVNAXGT-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine
CID 65093543
3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide
CID 64750648
N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide
CID 103910287
3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol
CID 96732218
N-[3-[[3-(2-bromophenyl)cyclobutyl]amino]propyl]methanesulfonamide
CID 106333342
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854
4-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
CID 64731694
5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
CID 103254539
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
2-[(3,5-dimethylcyclohexyl)amino]ethanol
CID 64723200
N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide
CID 43131793
5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile
CID 64734426

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide (CID 103827919) is N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide is CC1CC(C)CC(NCCCNS(C)(=O)=O)C1.
What is the InChIKey of N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide?
The InChIKey is ZUCYOQJQVNAXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10-7-11(2)9-12(8-10)13-5-4-6-14-17(3,15)16/h10-14H,4-9H2,1-3H3.
What are the key properties of N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide?
N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 103827919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).