N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide

C10H24N2O3S — CID 63290201

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)CCCOC
InChIInChI=1S/C10H24N2O3S/c1-4-10(5-2,9-11)12-16(13,14)8-6-7-15-3/h12H,4-9,11H2,1-3H3
InChIKeyRMYFILUVPGJTHZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.46
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide (PubChem CID 63290201) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide
PubChem CID63290201
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)CCCOC
InChIInChI=1S/C10H24N2O3S/c1-4-10(5-2,9-11)12-16(13,14)8-6-7-15-3/h12H,4-9,11H2,1-3H3
InChIKeyRMYFILUVPGJTHZ-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 62521960
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide
CID 107868392
2-ethyl-2-(3-methoxypropylsulfonylamino)butanoic acid
CID 79806636
ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate
CID 63888007
N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide
CID 114293791
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide
CID 63289872
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
CID 119570681
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119981229
N-[1-(aminomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290111
N-(3-ethylpentan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 65042305

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide (CID 63290201) is N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide is CCC(CC)(CN)NS(=O)(=O)CCCOC.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide?
The InChIKey is RMYFILUVPGJTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-4-10(5-2,9-11)12-16(13,14)8-6-7-15-3/h12H,4-9,11H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide has a molecular weight of 252.38 g/mol, XLogP of 0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63290201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).