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

C11H24N2O3S — CID 82728846

IUPACN-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC1CCOC1C
InChIInChI=1S/C11H24N2O3S/c1-9(2)12-6-4-8-17(14,15)13-11-5-7-16-10(11)3/h9-13H,4-8H2,1-3H3
InChIKeyGCLJIIFSLNWRGK-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.47
Rot. Bonds7

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

N-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 82728846) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID82728846
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC1CCOC1C
InChIInChI=1S/C11H24N2O3S/c1-9(2)12-6-4-8-17(14,15)13-11-5-7-16-10(11)3/h9-13H,4-8H2,1-3H3
InChIKeyGCLJIIFSLNWRGK-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-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973998
N-(oxan-4-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114135293
2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide
CID 136540395
N-(oxan-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106065217
3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide
CID 103063616
N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63923373
2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide
CID 82728589
N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106076143
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
3-(methylamino)-N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 106064308
2-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106076237
2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide
CID 82726329

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide (CID 82728846) is N-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)NC1CCOC1C.
What is the InChIKey of N-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is GCLJIIFSLNWRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-9(2)12-6-4-8-17(14,15)13-11-5-7-16-10(11)3/h9-13H,4-8H2,1-3H3.
What are the key properties of N-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
N-(2-methyloxolan-3-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-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 82728846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).