N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide

C14H22N2O3S — CID 66185704

IUPACN-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CNC2)ccc1OC(C)C
InChIInChI=1S/C14H22N2O3S/c1-10(2)19-14-6-5-13(7-11(14)3)20(17,18)16(4)12-8-15-9-12/h5-7,10,12,15H,8-9H2,1-4H3
InChIKeyGDVIOPXXCPKVNP-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.37
Rot. Bonds5

About N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide

N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 66185704) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID66185704
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CNC2)ccc1OC(C)C
InChIInChI=1S/C14H22N2O3S/c1-10(2)19-14-6-5-13(7-11(14)3)20(17,18)16(4)12-8-15-9-12/h5-7,10,12,15H,8-9H2,1-4H3
InChIKeyGDVIOPXXCPKVNP-UHFFFAOYSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,6aR)-5-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120665697
N,N-dimethyl-2-[methyl-(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 39622713
N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 54879645
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119967344
N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
CID 86825288
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-propan-2-ylamino]acetate
CID 55854442
3-(3-methyl-4-propan-2-yloxyphenyl)azetidine
CID 82283172
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 39636565
3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 119970212
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 39623415

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide (CID 66185704) is N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C2CNC2)ccc1OC(C)C.
What is the InChIKey of N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is GDVIOPXXCPKVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)19-14-6-5-13(7-11(14)3)20(17,18)16(4)12-8-15-9-12/h5-7,10,12,15H,8-9H2,1-4H3.
What are the key properties of N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide?
N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.37, 5 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,3-dimethyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 66185704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).