2-methoxypropane-1-sulfonamide

C4H11NO3S — CID 86767755

IUPAC2-methoxypropane-1-sulfonamide
SMILESCOC(C)CS(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-4(8-2)3-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyNPHOMHAVTCUVIO-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.69
Rot. Bonds3

About 2-methoxypropane-1-sulfonamide

2-methoxypropane-1-sulfonamide (PubChem CID 86767755) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is 2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name2-methoxypropane-1-sulfonamide
PubChem CID86767755
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name2-methoxypropane-1-sulfonamide
SMILESCOC(C)CS(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-4(8-2)3-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyNPHOMHAVTCUVIO-UHFFFAOYSA-N
XLogP-0.69
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71757010
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CID 64201989
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Frequently Asked Questions

What is the IUPAC name of 2-methoxypropane-1-sulfonamide?
The IUPAC name of 2-methoxypropane-1-sulfonamide (CID 86767755) is 2-methoxypropane-1-sulfonamide.
What is the SMILES notation for 2-methoxypropane-1-sulfonamide?
The canonical SMILES for 2-methoxypropane-1-sulfonamide is COC(C)CS(N)(=O)=O.
What is the InChIKey of 2-methoxypropane-1-sulfonamide?
The InChIKey is NPHOMHAVTCUVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-4(8-2)3-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7).
What are the key properties of 2-methoxypropane-1-sulfonamide?
2-methoxypropane-1-sulfonamide has a molecular weight of 153.20 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 86767755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).