N-[4-(methanesulfonamido)butyl]pentanamide

C10H22N2O3S — CID 23563443

IUPACN-[4-(methanesulfonamido)butyl]pentanamide
SMILESCCCCC(=O)NCCCCNS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-3-4-7-10(13)11-8-5-6-9-12-16(2,14)15/h12H,3-9H2,1-2H3,(H,11,13)
InChIKeyWAPJRQZIUMRYRY-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.62
Rot. Bonds9

About N-[4-(methanesulfonamido)butyl]pentanamide

N-[4-(methanesulfonamido)butyl]pentanamide (PubChem CID 23563443) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)butyl]pentanamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)butyl]pentanamide
PubChem CID23563443
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[4-(methanesulfonamido)butyl]pentanamide
SMILESCCCCC(=O)NCCCCNS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-3-4-7-10(13)11-8-5-6-9-12-16(2,14)15/h12H,3-9H2,1-2H3,(H,11,13)
InChIKeyWAPJRQZIUMRYRY-UHFFFAOYSA-N
XLogP0.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[4-(methanesulfonamido)butyl]pentanamide?
The IUPAC name of N-[4-(methanesulfonamido)butyl]pentanamide (CID 23563443) is N-[4-(methanesulfonamido)butyl]pentanamide.
What is the SMILES notation for N-[4-(methanesulfonamido)butyl]pentanamide?
The canonical SMILES for N-[4-(methanesulfonamido)butyl]pentanamide is CCCCC(=O)NCCCCNS(C)(=O)=O.
What is the InChIKey of N-[4-(methanesulfonamido)butyl]pentanamide?
The InChIKey is WAPJRQZIUMRYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-4-7-10(13)11-8-5-6-9-12-16(2,14)15/h12H,3-9H2,1-2H3,(H,11,13).
What are the key properties of N-[4-(methanesulfonamido)butyl]pentanamide?
N-[4-(methanesulfonamido)butyl]pentanamide has a molecular weight of 250.36 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)butyl]pentanamide is sourced from PubChem (CID 23563443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).