3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide

C11H25N3O3S — CID 63287773

IUPAC3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)CCN1CCNCC1
InChIInChI=1S/C11H25N3O3S/c1-13(18(15,16)11-3-10-17-2)8-9-14-6-4-12-5-7-14/h12H,3-11H2,1-2H3
InChIKeyUPMPWIRXMFPSFR-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.81
Rot. Bonds8

About 3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide

3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide (PubChem CID 63287773) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide
PubChem CID63287773
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)CCN1CCNCC1
InChIInChI=1S/C11H25N3O3S/c1-13(18(15,16)11-3-10-17-2)8-9-14-6-4-12-5-7-14/h12H,3-11H2,1-2H3
InChIKeyUPMPWIRXMFPSFR-UHFFFAOYSA-N
XLogP-0.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 63009964
N-(2-methoxyethyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 54972243
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
CID 63207731
3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
CID 63208860
1-(3-methoxypropylsulfonyl)piperazine;hydrochloride
CID 71756651
3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 65098202
N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide
CID 61252200
1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine
CID 119966689
ethane;1-(5-methoxypentyl)piperazine;propane
CID 156802443
N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 118527469
3-[3-methoxypropylsulfonyl(methyl)amino]propanethioamide
CID 63290273

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide (CID 63287773) is 3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide is COCCCS(=O)(=O)N(C)CCN1CCNCC1.
What is the InChIKey of 3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide?
The InChIKey is UPMPWIRXMFPSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-13(18(15,16)11-3-10-17-2)8-9-14-6-4-12-5-7-14/h12H,3-11H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide?
3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 63287773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).