N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide

C9H18N2O3S — CID 86820505

IUPACN-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide
SMILESCS(=O)(=O)N(C1CCOCC1)C1CNC1
InChIInChI=1S/C9H18N2O3S/c1-15(12,13)11(9-6-10-7-9)8-2-4-14-5-3-8/h8-10H,2-7H2,1H3
InChIKeyAHICUOSOKXIQMV-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.60
Rot. Bonds3

About N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide

N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide (PubChem CID 86820505) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide
PubChem CID86820505
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide
SMILESCS(=O)(=O)N(C1CCOCC1)C1CNC1
InChIInChI=1S/C9H18N2O3S/c1-15(12,13)11(9-6-10-7-9)8-2-4-14-5-3-8/h8-10H,2-7H2,1H3
InChIKeyAHICUOSOKXIQMV-UHFFFAOYSA-N
XLogP-0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine
CID 110197188
N-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide
CID 70883139
N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide
CID 43608588
N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide
CID 54903584
N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972284
N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972333
N-methyl-N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972384
2-(ethylamino)-N-methyl-N-(oxan-4-yl)ethanesulfonamide
CID 61548020
N-[2-(4-methoxybutan-2-ylamino)ethyl]methanesulfonamide
CID 61864790
N-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide
CID 62664787
N-(3-ethoxypropyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 63004023

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide (CID 86820505) is N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide is CS(=O)(=O)N(C1CCOCC1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide?
The InChIKey is AHICUOSOKXIQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-15(12,13)11(9-6-10-7-9)8-2-4-14-5-3-8/h8-10H,2-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide?
N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 86820505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).