N,N-di(propan-2-yl)oxane-4-sulfonamide

C11H23NO3S — CID 177073151

IUPACN,N-di(propan-2-yl)oxane-4-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H23NO3S/c1-9(2)12(10(3)4)16(13,14)11-5-7-15-8-6-11/h9-11H,5-8H2,1-4H3
InChIKeyPXVNFRHNJPNREQ-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.61
Rot. Bonds4

About N,N-di(propan-2-yl)oxane-4-sulfonamide

N,N-di(propan-2-yl)oxane-4-sulfonamide (PubChem CID 177073151) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N,N-di(propan-2-yl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)oxane-4-sulfonamide
PubChem CID177073151
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN,N-di(propan-2-yl)oxane-4-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H23NO3S/c1-9(2)12(10(3)4)16(13,14)11-5-7-15-8-6-11/h9-11H,5-8H2,1-4H3
InChIKeyPXVNFRHNJPNREQ-UHFFFAOYSA-N
XLogP1.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-di(propan-2-yl)oxane-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 90554867
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 90554868
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 90554890
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 90554914
N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
CID 21034325
N-isopropyltetrahydro-2H-pyran-4-sulfonamide
CID 64295375
N-methyl-N-(oxan-4-yl)cyclopropanesulfonamide
CID 70819457
N-cyclopropyl-5-methoxy-N-methylpentane-1-sulfonamide
CID 71248840
N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide
CID 89402753
1-(Oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine
CID 126752827
N-methyl-N-propan-2-yloxolane-3-sulfonamide
CID 131084597
N-methyl-N-(oxan-3-yl)ethanesulfonamide
CID 131155078

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)oxane-4-sulfonamide?
The IUPAC name of N,N-di(propan-2-yl)oxane-4-sulfonamide (CID 177073151) is N,N-di(propan-2-yl)oxane-4-sulfonamide.
What is the SMILES notation for N,N-di(propan-2-yl)oxane-4-sulfonamide?
The canonical SMILES for N,N-di(propan-2-yl)oxane-4-sulfonamide is CC(C)N(C(C)C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N,N-di(propan-2-yl)oxane-4-sulfonamide?
The InChIKey is PXVNFRHNJPNREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(2)12(10(3)4)16(13,14)11-5-7-15-8-6-11/h9-11H,5-8H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)oxane-4-sulfonamide?
N,N-di(propan-2-yl)oxane-4-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)oxane-4-sulfonamide is sourced from PubChem (CID 177073151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).