N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide

C9H20N2O3S — CID 63246284

IUPACN-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNCCCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H20N2O3S/c10-5-1-2-6-11-15(12,13)8-9-4-3-7-14-9/h9,11H,1-8,10H2
InChIKeyNQCOBAUCUMFLAF-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.18
Rot. Bonds7

About N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide

N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246284) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246284
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNCCCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H20N2O3S/c10-5-1-2-6-11-15(12,13)8-9-4-3-7-14-9/h9,11H,1-8,10H2
InChIKeyNQCOBAUCUMFLAF-UHFFFAOYSA-N
XLogP-0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.18
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-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247487
N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride
CID 120583339
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide
CID 119973445

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63246284) is N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide is NCCCCNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is NQCOBAUCUMFLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c10-5-1-2-6-11-15(12,13)8-9-4-3-7-14-9/h9,11H,1-8,10H2.
What are the key properties of N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).