N-[2-(methylamino)propyl]oxane-3-sulfonamide

C9H20N2O3S — CID 120877056

IUPACN-[2-(methylamino)propyl]oxane-3-sulfonamide
SMILESCNC(C)CNS(=O)(=O)C1CCCOC1
InChIInChI=1S/C9H20N2O3S/c1-8(10-2)6-11-15(12,13)9-4-3-5-14-7-9/h8-11H,3-7H2,1-2H3
InChIKeyWVDZNTZMIRNIGE-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.31
Rot. Bonds5

About N-[2-(methylamino)propyl]oxane-3-sulfonamide

N-[2-(methylamino)propyl]oxane-3-sulfonamide (PubChem CID 120877056) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]oxane-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]oxane-3-sulfonamide
PubChem CID120877056
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[2-(methylamino)propyl]oxane-3-sulfonamide
SMILESCNC(C)CNS(=O)(=O)C1CCCOC1
InChIInChI=1S/C9H20N2O3S/c1-8(10-2)6-11-15(12,13)9-4-3-5-14-7-9/h8-11H,3-7H2,1-2H3
InChIKeyWVDZNTZMIRNIGE-UHFFFAOYSA-N
XLogP-0.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyloxane-3-sulfonamide
CID 69039393
N-propan-2-yloxane-3-sulfonamide
CID 130684869
(3R)-N-propan-2-yloxolane-3-sulfonamide
CID 97175132
N-[(1-aminocycloheptyl)methyl]oxane-3-sulfonamide
CID 120875677
2-(oxan-3-ylsulfonyl)propan-1-amine
CID 107138207
N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride
CID 120874902
1-N-(cyclopropylsulfamoyl)-2-N-methylpropane-1,2-diamine
CID 103512559
N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306
N-[(2R)-2-hydroxypropyl]oxane-4-sulfonamide
CID 83029694
N-(1-piperidin-3-ylethyl)oxane-3-sulfonamide
CID 119052630
2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine
CID 107138212
(3S)-oxane-3-sulfonyl fluoride
CID 124710027

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]oxane-3-sulfonamide?
The IUPAC name of N-[2-(methylamino)propyl]oxane-3-sulfonamide (CID 120877056) is N-[2-(methylamino)propyl]oxane-3-sulfonamide.
What is the SMILES notation for N-[2-(methylamino)propyl]oxane-3-sulfonamide?
The canonical SMILES for N-[2-(methylamino)propyl]oxane-3-sulfonamide is CNC(C)CNS(=O)(=O)C1CCCOC1.
What is the InChIKey of N-[2-(methylamino)propyl]oxane-3-sulfonamide?
The InChIKey is WVDZNTZMIRNIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(10-2)6-11-15(12,13)9-4-3-5-14-7-9/h8-11H,3-7H2,1-2H3.
What are the key properties of N-[2-(methylamino)propyl]oxane-3-sulfonamide?
N-[2-(methylamino)propyl]oxane-3-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]oxane-3-sulfonamide is sourced from PubChem (CID 120877056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).