N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide

C13H28N2O2S — CID 54973746

IUPACN-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)CCNC(C)C
InChIInChI=1S/C13H28N2O2S/c1-4-15(13-8-6-5-7-9-13)18(16,17)11-10-14-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyVFEIFBORUMCHMC-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.97
Rot. Bonds7

About N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide

N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54973746) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54973746
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)CCNC(C)C
InChIInChI=1S/C13H28N2O2S/c1-4-15(13-8-6-5-7-9-13)18(16,17)11-10-14-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyVFEIFBORUMCHMC-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-ethylethanesulfonamide
CID 61356530
1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide
CID 83092325
3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide
CID 79585815
N-butyl-N-cyclopropyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972501
N-(2-cyclohexylsulfonylethyl)propan-2-amine
CID 64676192
4-[cyclopentyl(ethyl)sulfamoyl]butanoic acid
CID 43541031
methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
CID 54951967
N-cyclohexyl-N-ethylsulfamoyl chloride
CID 16769623
N-cyclopentyl-N-ethylmethanesulfonamide
CID 58540435
N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423356
N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine
CID 64676476
N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine
CID 55023150

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide (CID 54973746) is N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide is CCN(C1CCCCC1)S(=O)(=O)CCNC(C)C.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is VFEIFBORUMCHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-15(13-8-6-5-7-9-13)18(16,17)11-10-14-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide?
N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54973746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).