3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride

C9H18ClNO3S — CID 112594686

IUPAC3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride
SMILESCC1(C)COCCN1CCCS(=O)(=O)Cl
InChIInChI=1S/C9H18ClNO3S/c1-9(2)8-14-6-5-11(9)4-3-7-15(10,12)13/h3-8H2,1-2H3
InChIKeyVVXVBYDEZJROMZ-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.06
Rot. Bonds4

About 3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride

3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride (PubChem CID 112594686) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride
PubChem CID112594686
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride
SMILESCC1(C)COCCN1CCCS(=O)(=O)Cl
InChIInChI=1S/C9H18ClNO3S/c1-9(2)8-14-6-5-11(9)4-3-7-15(10,12)13/h3-8H2,1-2H3
InChIKeyVVXVBYDEZJROMZ-UHFFFAOYSA-N
XLogP1.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 54352391
4-(4-bromobutyl)-3,3-dimethylmorpholine
CID 61430684
3-(3,3-dimethylmorpholin-4-yl)-N-propan-2-ylpropan-1-amine
CID 61430784
6-(3,3-dimethylmorpholin-4-yl)-3,3-dimethylhexan-1-amine
CID 65296338
5-(3,3-dimethylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62461860
3,3-dimethyl-4-(3-piperidin-4-ylpropyl)morpholine
CID 62212366
methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate
CID 61433080
1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 62618005
4-(3,3-dimethylmorpholin-4-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62562752
4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid
CID 65247740
4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine
CID 66472303
4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine
CID 131232394

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride (CID 112594686) is 3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride is CC1(C)COCCN1CCCS(=O)(=O)Cl.
What is the InChIKey of 3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride?
The InChIKey is VVXVBYDEZJROMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-9(2)8-14-6-5-11(9)4-3-7-15(10,12)13/h3-8H2,1-2H3.
What are the key properties of 3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride?
3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride has a molecular weight of 255.77 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 112594686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).