N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide

C13H28N2O2S — CID 28940764

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CN)CCC(CC)CC1
InChIInChI=1S/C13H28N2O2S/c1-3-5-10-18(16,17)15-13(11-14)8-6-12(4-2)7-9-13/h12,15H,3-11,14H2,1-2H3
InChIKeyAGXQVXNECXWJDG-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.00
Rot. Bonds7

About N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide (PubChem CID 28940764) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide
PubChem CID28940764
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CN)CCC(CC)CC1
InChIInChI=1S/C13H28N2O2S/c1-3-5-10-18(16,17)15-13(11-14)8-6-12(4-2)7-9-13/h12,15H,3-11,14H2,1-2H3
InChIKeyAGXQVXNECXWJDG-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940750
N-[1-(aminomethyl)-4-ethylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047750
N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068012
N-(2-amino-1-cyclohexylethyl)-3-fluoropropane-1-sulfonamide
CID 86780702
N-[(1S)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
CID 99850243
N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
CID 99850244
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide
CID 120607128
N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide
CID 12991224
(4-Aminocyclohexyl)methanesulfonamide
CID 17973482
N-(2-cyclohexylethyl)-N-propanesulfonylamine
CID 18361106
N-[2-[4-aminocyclohexyl]propyl] 2-propanesulfonamide
CID 22624693

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide (CID 28940764) is N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1(CN)CCC(CC)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide?
The InChIKey is AGXQVXNECXWJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-3-5-10-18(16,17)15-13(11-14)8-6-12(4-2)7-9-13/h12,15H,3-11,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide is sourced from PubChem (CID 28940764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).