4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide

C10H22N4O3S — CID 113440928

IUPAC4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide
SMILESCC(CCCN)C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H22N4O3S/c1-9(3-2-4-11)10(15)13-5-7-14(8-6-13)18(12,16)17/h9H,2-8,11H2,1H3,(H2,12,16,17)
InChIKeyHASCIXIUSSFUOD-UHFFFAOYSA-N
MW278.38 g/mol
LogP-1.29
Rot. Bonds5

About 4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide

4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide (PubChem CID 113440928) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide
PubChem CID113440928
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide
SMILESCC(CCCN)C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H22N4O3S/c1-9(3-2-4-11)10(15)13-5-7-14(8-6-13)18(12,16)17/h9H,2-8,11H2,1H3,(H2,12,16,17)
InChIKeyHASCIXIUSSFUOD-UHFFFAOYSA-N
XLogP-1.29
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one
CID 104683713
5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one
CID 104684531
5-amino-2-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 104684861
5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one
CID 113441000
5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one
CID 113440980
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide
CID 61157442
4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide
CID 61157441
5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104685126
5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one
CID 104684308
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one
CID 43251391
5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 104684820

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide (CID 113440928) is 4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide is CC(CCCN)C(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide?
The InChIKey is HASCIXIUSSFUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-9(3-2-4-11)10(15)13-5-7-14(8-6-13)18(12,16)17/h9H,2-8,11H2,1H3,(H2,12,16,17).
What are the key properties of 4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide?
4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide has a molecular weight of 278.38 g/mol, XLogP of -1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 113440928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).