N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide

C11H24N2O3S — CID 114150936

IUPACN-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CN)CCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H24N2O3S/c1-10(8-12)4-2-6-13-17(14,15)9-11-5-3-7-16-11/h10-11,13H,2-9,12H2,1H3
InChIKeyYLJAPRTZOHULKF-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.46
Rot. Bonds8

About N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide

N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 114150936) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID114150936
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CN)CCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H24N2O3S/c1-10(8-12)4-2-6-13-17(14,15)9-11-5-3-7-16-11/h10-11,13H,2-9,12H2,1H3
InChIKeyYLJAPRTZOHULKF-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
CID 81202083
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65037518
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide
CID 119042774

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide (CID 114150936) is N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide is CC(CN)CCCNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is YLJAPRTZOHULKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(8-12)4-2-6-13-17(14,15)9-11-5-3-7-16-11/h10-11,13H,2-9,12H2,1H3.
What are the key properties of N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 114150936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).