N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide

C12H26N2O2S — CID 114142340

IUPACN-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC(C)C1CCC1
InChIInChI=1S/C12H26N2O2S/c1-9(2)13-8-10(3)17(15,16)14-11(4)12-6-5-7-12/h9-14H,5-8H2,1-4H3
InChIKeyUOHSERHDOXYQRK-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.48
Rot. Bonds7

About N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 114142340) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID114142340
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC(C)C1CCC1
InChIInChI=1S/C12H26N2O2S/c1-9(2)13-8-10(3)17(15,16)14-11(4)12-6-5-7-12/h9-14H,5-8H2,1-4H3
InChIKeyUOHSERHDOXYQRK-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106059659
N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106029944
N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106032073
N-(2-methylcyclohexyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114132164
N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065267
2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid
CID 81386001
N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106017805
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide
CID 106071625
N-(2,2-dimethylcyclopentyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106071033
[(1S)-1-(sulfamoylamino)ethyl]cyclohexane
CID 103935966
N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106075141

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 114142340) is N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)NC(C)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is UOHSERHDOXYQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-9(2)13-8-10(3)17(15,16)14-11(4)12-6-5-7-12/h9-14H,5-8H2,1-4H3.
What are the key properties of N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 114142340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).