N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide

C13H28N2O3S — CID 55031390

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C13H28N2O3S/c1-4-13(5-2,11-14)15(6-3)19(16,17)12-7-9-18-10-8-12/h12H,4-11,14H2,1-3H3
InChIKeyHKEFKSIEYIULNT-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.33
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide (PubChem CID 55031390) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide
PubChem CID55031390
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C13H28N2O3S/c1-4-13(5-2,11-14)15(6-3)19(16,17)12-7-9-18-10-8-12/h12H,4-11,14H2,1-3H3
InChIKeyHKEFKSIEYIULNT-UHFFFAOYSA-N
XLogP1.33
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
N-[2-[butan-2-yl(methyl)amino]ethyl]oxane-4-sulfonamide
CID 56803800
N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide
CID 167291637
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide
CID 55009732
N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide
CID 55031343
N-(1-amino-2-methylbutan-2-yl)-N-methyloxane-4-sulfonamide
CID 55031389
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172685
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172878
N-[3-(aminomethyl)pentan-3-yl]-3-methoxy-N-propylpropane-1-sulfonamide
CID 55172879
N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
CID 55174885
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55175079
N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175653

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide (CID 55031390) is N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide is CCN(C(CC)(CC)CN)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide?
The InChIKey is HKEFKSIEYIULNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-13(5-2,11-14)15(6-3)19(16,17)12-7-9-18-10-8-12/h12H,4-11,14H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide is sourced from PubChem (CID 55031390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).