N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide

C12H25NO4S — CID 55172112

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H25NO4S/c1-17-10-5-11-18(15,16)13(8-9-14)12-6-3-2-4-7-12/h12,14H,2-11H2,1H3
InChIKeyHFOUMTGKVGCNAN-UHFFFAOYSA-N
MW279.40 g/mol
LogP0.98
Rot. Bonds8

About N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide

N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide (PubChem CID 55172112) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide
PubChem CID55172112
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H25NO4S/c1-17-10-5-11-18(15,16)13(8-9-14)12-6-3-2-4-7-12/h12,14H,2-11H2,1H3
InChIKeyHFOUMTGKVGCNAN-UHFFFAOYSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 50.98
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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Related Compounds

N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide
CID 164635570
N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 83059564
N-cyclohexyl-3-fluoro-N-(2-hydroxypropyl)propane-1-sulfonamide
CID 112406515
Hexyl-bis(2-hydroxyethyl)-(3-sulfopropyl)azanium
CID 18689241
N-(1,4-dihydroxybutan-2-yl)-N-methylcyclohexanesulfonamide
CID 89985561
N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid
CID 137404718
N,N-dimethylcyclohexanamine;3-hydroxypropane-1-sulfonic acid
CID 160323018
2-[Cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate
CID 168857901
3-[Hexyl-bis(2-hydroxyethyl)azaniumyl]propane-1-sulfonate
CID 177726164
N-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3330229
Propanoic acid, 2-[[cyclohexyl(2-hydroxyethyl)amino]sulfonyl]-
CID 54947654
4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 54994074

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide (CID 55172112) is N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is HFOUMTGKVGCNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-17-10-5-11-18(15,16)13(8-9-14)12-6-3-2-4-7-12/h12,14H,2-11H2,1H3.
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide?
N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 279.40 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 55172112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).