N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide

C11H24N2O3S — CID 102639350

IUPACN-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)C1CCCCC1N
InChIInChI=1S/C11H24N2O3S/c1-13(11-7-4-3-6-10(11)12)17(14,15)9-5-8-16-2/h10-11H,3-9,12H2,1-2H3
InChIKeyFBPPREASOYNEMN-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.55
Rot. Bonds6

About N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide

N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide (PubChem CID 102639350) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide
PubChem CID102639350
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)C1CCCCC1N
InChIInChI=1S/C11H24N2O3S/c1-13(11-7-4-3-6-10(11)12)17(14,15)9-5-8-16-2/h10-11H,3-9,12H2,1-2H3
InChIKeyFBPPREASOYNEMN-UHFFFAOYSA-N
XLogP0.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide (CID 102639350) is N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide is COCCCS(=O)(=O)N(C)C1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide?
The InChIKey is FBPPREASOYNEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-13(11-7-4-3-6-10(11)12)17(14,15)9-5-8-16-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide?
N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 102639350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).