3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide

C9H20N2O3S — CID 115778229

IUPAC3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide
SMILESCC1OCCC1N(C)CCCS(N)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-8-9(4-6-14-8)11(2)5-3-7-15(10,12)13/h8-9H,3-7H2,1-2H3,(H2,10,12,13)
InChIKeyXJOJYXFXTYJZJW-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.23
Rot. Bonds5

About 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide

3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide (PubChem CID 115778229) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide
PubChem CID115778229
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide
SMILESCC1OCCC1N(C)CCCS(N)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-8-9(4-6-14-8)11(2)5-3-7-15(10,12)13/h8-9H,3-7H2,1-2H3,(H2,10,12,13)
InChIKeyXJOJYXFXTYJZJW-UHFFFAOYSA-N
XLogP-0.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 115778219
4-[methyl-(2-methyloxolan-3-yl)amino]butanehydrazide
CID 82753689
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82734841
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine
CID 82749499
2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile
CID 82748408
N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82753744
2-amino-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
CID 82743708
3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide
CID 112698301
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide (CID 115778229) is 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide is CC1OCCC1N(C)CCCS(N)(=O)=O.
What is the InChIKey of 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide?
The InChIKey is XJOJYXFXTYJZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8-9(4-6-14-8)11(2)5-3-7-15(10,12)13/h8-9H,3-7H2,1-2H3,(H2,10,12,13).
What are the key properties of 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide?
3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 115778229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).