3-(3-methylmorpholin-4-yl)propane-1-sulfonamide

C8H18N2O3S — CID 115613245

IUPAC3-(3-methylmorpholin-4-yl)propane-1-sulfonamide
SMILESCC1COCCN1CCCS(N)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-8-7-13-5-4-10(8)3-2-6-14(9,11)12/h8H,2-7H2,1H3,(H2,9,11,12)
InChIKeyYJAMCGYCXUBEQE-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.61
Rot. Bonds4

About 3-(3-methylmorpholin-4-yl)propane-1-sulfonamide

3-(3-methylmorpholin-4-yl)propane-1-sulfonamide (PubChem CID 115613245) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(3-methylmorpholin-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(3-methylmorpholin-4-yl)propane-1-sulfonamide
PubChem CID115613245
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-(3-methylmorpholin-4-yl)propane-1-sulfonamide
SMILESCC1COCCN1CCCS(N)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-8-7-13-5-4-10(8)3-2-6-14(9,11)12/h8H,2-7H2,1H3,(H2,9,11,12)
InChIKeyYJAMCGYCXUBEQE-UHFFFAOYSA-N
XLogP-0.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylmorpholin-4-yl)propan-1-amine
CID 43541798
4-(3-methylmorpholin-4-yl)butan-1-ol
CID 43542485
5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 62228408
3-[(3R)-3-methylmorpholin-4-yl]propyl hypoiodite
CID 170083602
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine
CID 65295808
3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324
N-ethyl-4-(3-methylmorpholin-4-yl)butan-1-amine
CID 62421385
dimethoxy-[3-(3-methylmorpholin-4-yl)propyl]silane
CID 154510661
2-amino-2-methyl-5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 64796610
1-[2-(3-methylmorpholin-4-yl)ethyl]cyclopropan-1-amine
CID 131014785

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylmorpholin-4-yl)propane-1-sulfonamide?
The IUPAC name of 3-(3-methylmorpholin-4-yl)propane-1-sulfonamide (CID 115613245) is 3-(3-methylmorpholin-4-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(3-methylmorpholin-4-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(3-methylmorpholin-4-yl)propane-1-sulfonamide is CC1COCCN1CCCS(N)(=O)=O.
What is the InChIKey of 3-(3-methylmorpholin-4-yl)propane-1-sulfonamide?
The InChIKey is YJAMCGYCXUBEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-8-7-13-5-4-10(8)3-2-6-14(9,11)12/h8H,2-7H2,1H3,(H2,9,11,12).
What are the key properties of 3-(3-methylmorpholin-4-yl)propane-1-sulfonamide?
3-(3-methylmorpholin-4-yl)propane-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylmorpholin-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 115613245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).