2-(oxan-3-ylsulfonyl)propan-1-amine

C8H17NO3S — CID 107138207

IUPAC2-(oxan-3-ylsulfonyl)propan-1-amine
SMILESCC(CN)S(=O)(=O)C1CCCOC1
InChIInChI=1S/C8H17NO3S/c1-7(5-9)13(10,11)8-3-2-4-12-6-8/h7-8H,2-6,9H2,1H3
InChIKeyLEEWKTMKAXVSCQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.07
Rot. Bonds3

About 2-(oxan-3-ylsulfonyl)propan-1-amine

2-(oxan-3-ylsulfonyl)propan-1-amine (PubChem CID 107138207) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(oxan-3-ylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-(oxan-3-ylsulfonyl)propan-1-amine
PubChem CID107138207
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-(oxan-3-ylsulfonyl)propan-1-amine
SMILESCC(CN)S(=O)(=O)C1CCCOC1
InChIInChI=1S/C8H17NO3S/c1-7(5-9)13(10,11)8-3-2-4-12-6-8/h7-8H,2-6,9H2,1H3
InChIKeyLEEWKTMKAXVSCQ-UHFFFAOYSA-N
XLogP-0.07
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine
CID 107138212
N-propan-2-yloxane-3-sulfonamide
CID 130684869
2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine
CID 81187744
2-(oxan-3-ylsulfonyl)butanoic acid
CID 107134773
2-(4-methylcyclohexyl)sulfonylpropan-1-amine
CID 81187393
(3S)-oxane-3-sulfonyl fluoride
CID 124710027
1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 120999650
N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride
CID 120874902
N-[2-(methylamino)propyl]oxane-3-sulfonamide
CID 120877056
N-methyloxane-3-sulfonamide
CID 69039393
3-cyclohexylsulfonylbutan-1-amine
CID 64698665
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylsulfonyl)propan-1-amine?
The IUPAC name of 2-(oxan-3-ylsulfonyl)propan-1-amine (CID 107138207) is 2-(oxan-3-ylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-(oxan-3-ylsulfonyl)propan-1-amine?
The canonical SMILES for 2-(oxan-3-ylsulfonyl)propan-1-amine is CC(CN)S(=O)(=O)C1CCCOC1.
What is the InChIKey of 2-(oxan-3-ylsulfonyl)propan-1-amine?
The InChIKey is LEEWKTMKAXVSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(5-9)13(10,11)8-3-2-4-12-6-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-(oxan-3-ylsulfonyl)propan-1-amine?
2-(oxan-3-ylsulfonyl)propan-1-amine has a molecular weight of 207.29 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylsulfonyl)propan-1-amine is sourced from PubChem (CID 107138207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).