3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide

C11H24N2O2S — CID 64750648

IUPAC3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide
SMILESCC1CC(C)CC(NCCCS(N)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-9-6-10(2)8-11(7-9)13-4-3-5-16(12,14)15/h9-11,13H,3-8H2,1-2H3,(H2,12,14,15)
InChIKeyCPAYVZPKOUSICF-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.08
Rot. Bonds5

About 3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide

3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide (PubChem CID 64750648) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide
PubChem CID64750648
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide
SMILESCC1CC(C)CC(NCCCS(N)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-9-6-10(2)8-11(7-9)13-4-3-5-16(12,14)15/h9-11,13H,3-8H2,1-2H3,(H2,12,14,15)
InChIKeyCPAYVZPKOUSICF-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.08
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
N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide
CID 103827919
3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol
CID 96732218
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
2-[(3-methoxycyclobutyl)amino]ethanesulfonamide
CID 106821299
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
3-(oxepan-4-ylamino)propane-1-sulfonamide
CID 65082122
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608707
2-[(3,5-dimethylcyclohexyl)amino]ethanol
CID 64723200
3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide
CID 62982190

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide (CID 64750648) is 3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide is CC1CC(C)CC(NCCCS(N)(=O)=O)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide?
The InChIKey is CPAYVZPKOUSICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9-6-10(2)8-11(7-9)13-4-3-5-16(12,14)15/h9-11,13H,3-8H2,1-2H3,(H2,12,14,15).
What are the key properties of 3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide?
3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide is sourced from PubChem (CID 64750648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).