N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide

C11H24N2O3S — CID 55174693

IUPACN-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H24N2O3S/c1-9(2)6-10(12)7-13-17(14,15)8-11-4-3-5-16-11/h9-11,13H,3-8,12H2,1-2H3
InChIKeyIVFZVFHALZKCLX-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.46
Rot. Bonds7

About N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide

N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55174693) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55174693
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H24N2O3S/c1-9(2)6-10(12)7-13-17(14,15)8-11-4-3-5-16-11/h9-11,13H,3-8,12H2,1-2H3
InChIKeyIVFZVFHALZKCLX-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyethanesulfonamide
CID 79594262
1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 64294996
N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55174883
N-(2-amino-4-methylpentyl)-2-methoxyethanesulfonamide
CID 61609099
N-(2-amino-4-methylpentyl)oxane-4-sulfonamide
CID 62047909
N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide
CID 62732369
N-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 62734998
N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246286
N-(1-aminopentan-3-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246329
N-[2-(aminomethyl)cyclopentyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246330
N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246375
N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246378

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide (CID 55174693) is N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide is CC(C)CC(N)CNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is IVFZVFHALZKCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-9(2)6-10(12)7-13-17(14,15)8-11-4-3-5-16-11/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55174693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).