N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride

C10H21ClN2O3S — CID 120663977

IUPACN-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
SMILESCl.NC1CC(NS(=O)(=O)CC2CCCCO2)C1
InChIInChI=1S/C10H20N2O3S.ClH/c11-8-5-9(6-8)12-16(13,14)7-10-3-1-2-4-15-10;/h8-10,12H,1-7,11H2;1H
InChIKeyZWSBLBYIDVVCSF-UHFFFAOYSA-N
MW284.81 g/mol
LogP0.39
Rot. Bonds4

About N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride

N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride (PubChem CID 120663977) has the molecular formula C10H21ClN2O3S and a molecular weight of 284.81 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
PubChem CID120663977
Molecular FormulaC10H21ClN2O3S
Molecular Weight284.81 g/mol
Exact Mass284.10
IUPAC NameN-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
SMILESCl.NC1CC(NS(=O)(=O)CC2CCCCO2)C1
InChIInChI=1S/C10H20N2O3S.ClH/c11-8-5-9(6-8)12-16(13,14)7-10-3-1-2-4-15-10;/h8-10,12H,1-7,11H2;1H
InChIKeyZWSBLBYIDVVCSF-UHFFFAOYSA-N
XLogP0.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
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1-(oxan-2-yl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120723774
N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
CID 120584818
N-[(3-aminocyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114146773
N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 107172917
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
methyl 4-(oxolan-2-ylmethylsulfonylamino)cyclohexane-1-carboxylate
CID 115617300
N-[(1S,5S)-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl]-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 124859076
N-(3-aminocyclobutyl)ethanesulfonamide
CID 43597857
1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
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N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide
CID 119973445

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride (CID 120663977) is N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride is Cl.NC1CC(NS(=O)(=O)CC2CCCCO2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride?
The InChIKey is ZWSBLBYIDVVCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S.ClH/c11-8-5-9(6-8)12-16(13,14)7-10-3-1-2-4-15-10;/h8-10,12H,1-7,11H2;1H.
What are the key properties of N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride?
N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120663977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).