4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide

C12H27N3O3S — CID 110662551

IUPAC4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide
SMILESCOCCCN1C(C)CN(S(=O)(=O)N(C)C)CC1C
InChIInChI=1S/C12H27N3O3S/c1-11-9-14(19(16,17)13(3)4)10-12(2)15(11)7-6-8-18-5/h11-12H,6-10H2,1-5H3
InChIKeyGPVJXEQWQZUGBF-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.22
Rot. Bonds6

About 4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide

4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide (PubChem CID 110662551) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide
PubChem CID110662551
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide
SMILESCOCCCN1C(C)CN(S(=O)(=O)N(C)C)CC1C
InChIInChI=1S/C12H27N3O3S/c1-11-9-14(19(16,17)13(3)4)10-12(2)15(11)7-6-8-18-5/h11-12H,6-10H2,1-5H3
InChIKeyGPVJXEQWQZUGBF-UHFFFAOYSA-N
XLogP0.22
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide (CID 110662551) is 4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide is COCCCN1C(C)CN(S(=O)(=O)N(C)C)CC1C.
What is the InChIKey of 4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide?
The InChIKey is GPVJXEQWQZUGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-11-9-14(19(16,17)13(3)4)10-12(2)15(11)7-6-8-18-5/h11-12H,6-10H2,1-5H3.
What are the key properties of 4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide?
4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide has a molecular weight of 293.43 g/mol, XLogP of 0.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-N,N,3,5-tetramethylpiperazine-1-sulfonamide is sourced from PubChem (CID 110662551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).