N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide

C11H25N3O3S — CID 54999491

IUPACN-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H25N3O3S/c1-4-11(2)14(9-10-17-3)18(15,16)13-7-5-12-6-8-13/h11-12H,4-10H2,1-3H3
InChIKeyBEUGFDRNDCJRHA-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.12
Rot. Bonds7

About N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide

N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide (PubChem CID 54999491) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide
PubChem CID54999491
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H25N3O3S/c1-4-11(2)14(9-10-17-3)18(15,16)13-7-5-12-6-8-13/h11-12H,4-10H2,1-3H3
InChIKeyBEUGFDRNDCJRHA-UHFFFAOYSA-N
XLogP-0.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide?
The IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide (CID 54999491) is N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide is CCC(C)N(CCOC)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide?
The InChIKey is BEUGFDRNDCJRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-4-11(2)14(9-10-17-3)18(15,16)13-7-5-12-6-8-13/h11-12H,4-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide?
N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 54999491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).