N-(3-cyclohexyloxypropyl)propane-2-sulfonamide

C12H25NO3S — CID 61363412

IUPACN-(3-cyclohexyloxypropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCOC1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-11(2)17(14,15)13-9-6-10-16-12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3
InChIKeyKDGDWKVLKIACQZ-UHFFFAOYSA-N
MW263.40 g/mol
LogP2.05
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)propane-2-sulfonamide

N-(3-cyclohexyloxypropyl)propane-2-sulfonamide (PubChem CID 61363412) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)propane-2-sulfonamide
PubChem CID61363412
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(3-cyclohexyloxypropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCOC1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-11(2)17(14,15)13-9-6-10-16-12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3
InChIKeyKDGDWKVLKIACQZ-UHFFFAOYSA-N
XLogP2.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
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-cyclopentyloxypropyl)azepane-1-sulfonamide
CID 131929466
2-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275790
3-cyclopentyloxy-N-methylpropan-1-amine
CID 62444438
N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine
CID 43104261
1-(3-cyclohexyloxypropyl)-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
CID 111398312
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659
N-(3-cyclohexyloxypropyl)-1-cyclopropylpropan-2-amine
CID 115707843
(2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine
CID 125443596
N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide
CID 63869838
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
6-methylheptoxycyclohexane
CID 66984925
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)propane-2-sulfonamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)propane-2-sulfonamide (CID 61363412) is N-(3-cyclohexyloxypropyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)propane-2-sulfonamide?
The InChIKey is KDGDWKVLKIACQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-11(2)17(14,15)13-9-6-10-16-12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(3-cyclohexyloxypropyl)propane-2-sulfonamide?
N-(3-cyclohexyloxypropyl)propane-2-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)propane-2-sulfonamide is sourced from PubChem (CID 61363412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).