N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide

C11H25N3O3S — CID 63009964

IUPACN-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
SMILESCOCCCN(C)S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C11H25N3O3S/c1-13(6-3-10-17-2)18(15,16)11-9-14-7-4-12-5-8-14/h12H,3-11H2,1-2H3
InChIKeyZXHYJBJUQQCZPB-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.81
Rot. Bonds8

About N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide

N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide (PubChem CID 63009964) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
PubChem CID63009964
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
SMILESCOCCCN(C)S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C11H25N3O3S/c1-13(6-3-10-17-2)18(15,16)11-9-14-7-4-12-5-8-14/h12H,3-11H2,1-2H3
InChIKeyZXHYJBJUQQCZPB-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-(2-methoxyethyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 54972243
3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide
CID 63287773
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-(3-methoxypropyl)-N-methylpiperazine-1-carboxamide
CID 62983933
N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
CID 64518286
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 79311349
1-(3-methoxypropylsulfonyl)piperazine;hydrochloride
CID 71756651
3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 65098202
N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
CID 55012319
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide (CID 63009964) is N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide is COCCCN(C)S(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide?
The InChIKey is ZXHYJBJUQQCZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-13(6-3-10-17-2)18(15,16)11-9-14-7-4-12-5-8-14/h12H,3-11H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide?
N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide 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 N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 63009964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).