4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide

C8H18N2O3S — CID 159378545

IUPAC4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide
SMILESCC(C)NCC(=O)CCCS(N)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-7(2)10-6-8(11)4-3-5-14(9,12)13/h7,10H,3-6H2,1-2H3,(H2,9,12,13)
InChIKeyLKPTXVJUMAHXMP-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.38
Rot. Bonds7

About 4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide

4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide (PubChem CID 159378545) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide.

Molecular Properties

Compound Name4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide
PubChem CID159378545
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide
SMILESCC(C)NCC(=O)CCCS(N)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-7(2)10-6-8(11)4-3-5-14(9,12)13/h7,10H,3-6H2,1-2H3,(H2,9,12,13)
InChIKeyLKPTXVJUMAHXMP-UHFFFAOYSA-N
XLogP-0.38
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide?
The IUPAC name of 4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide (CID 159378545) is 4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide.
What is the SMILES notation for 4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide?
The canonical SMILES for 4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide is CC(C)NCC(=O)CCCS(N)(=O)=O.
What is the InChIKey of 4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide?
The InChIKey is LKPTXVJUMAHXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-7(2)10-6-8(11)4-3-5-14(9,12)13/h7,10H,3-6H2,1-2H3,(H2,9,12,13).
What are the key properties of 4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide?
4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-(propan-2-ylamino)pentane-1-sulfonamide is sourced from PubChem (CID 159378545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).