N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide

C11H24N2O3S — CID 54972284

IUPACN-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C11H24N2O3S/c1-10(2)12-6-3-9-17(14,15)13-11-4-7-16-8-5-11/h10-13H,3-9H2,1-2H3
InChIKeyQTDUQXUAIIPVRI-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.47
Rot. Bonds7

About N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide

N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 54972284) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID54972284
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C11H24N2O3S/c1-10(2)12-6-3-9-17(14,15)13-11-4-7-16-8-5-11/h10-13H,3-9H2,1-2H3
InChIKeyQTDUQXUAIIPVRI-UHFFFAOYSA-N
XLogP0.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.47
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-(Azetidin-3-YL)-N-(oxan-4-YL)methanesulfonamide
CID 86820505
2-n-Morpholine ethanesulfonic acid
CID 15787724
N-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
N-[2-[butan-2-yl(methyl)amino]ethyl]oxane-4-sulfonamide
CID 56803800
N-(oxan-4-yl)propane-2-sulfonamide
CID 61355877
N-(oxan-4-yl)propane-1-sulfonamide
CID 61384178
N-(3-methoxypropyl)piperidine-4-sulfonamide
CID 61549677
N-isopropyltetrahydro-2H-pyran-4-sulfonamide
CID 64295375
1-(2-Methoxyethylsulfonyl)-3-methylpiperazine
CID 65448064
3-Methyl-1-(oxan-4-ylsulfonyl)piperazine
CID 65448066
(2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine
CID 82755288
(3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine
CID 104976576

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide (CID 54972284) is N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is QTDUQXUAIIPVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(2)12-6-3-9-17(14,15)13-11-4-7-16-8-5-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 54972284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).