N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide

C10H22N4O3S — CID 63601240

IUPACN-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide
SMILESCCC1C(=O)NCCN1S(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H22N4O3S/c1-3-9-10(15)12-6-8-14(9)18(16,17)13(2)7-4-5-11/h9H,3-8,11H2,1-2H3,(H,12,15)
InChIKeyAEBNLSSPJXXNFI-UHFFFAOYSA-N
MW278.38 g/mol
LogP-1.28
Rot. Bonds6

About N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide

N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide (PubChem CID 63601240) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide
PubChem CID63601240
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC NameN-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide
SMILESCCC1C(=O)NCCN1S(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H22N4O3S/c1-3-9-10(15)12-6-8-14(9)18(16,17)13(2)7-4-5-11/h9H,3-8,11H2,1-2H3,(H,12,15)
InChIKeyAEBNLSSPJXXNFI-UHFFFAOYSA-N
XLogP-1.28
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide (CID 63601240) is N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide is CCC1C(=O)NCCN1S(=O)(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide?
The InChIKey is AEBNLSSPJXXNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-3-9-10(15)12-6-8-14(9)18(16,17)13(2)7-4-5-11/h9H,3-8,11H2,1-2H3,(H,12,15).
What are the key properties of N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide?
N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide has a molecular weight of 278.38 g/mol, XLogP of -1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide is sourced from PubChem (CID 63601240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).