N-(5-methoxypentyl)methanesulfonamide

C7H17NO3S — CID 103632034

IUPACN-(5-methoxypentyl)methanesulfonamide
SMILESCOCCCCCNS(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-11-7-5-3-4-6-8-12(2,9)10/h8H,3-7H2,1-2H3
InChIKeyXQQTYBSWEFRFLN-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.35
Rot. Bonds7

About N-(5-methoxypentyl)methanesulfonamide

N-(5-methoxypentyl)methanesulfonamide (PubChem CID 103632034) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(5-methoxypentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methoxypentyl)methanesulfonamide
PubChem CID103632034
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-(5-methoxypentyl)methanesulfonamide
SMILESCOCCCCCNS(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-11-7-5-3-4-6-8-12(2,9)10/h8H,3-7H2,1-2H3
InChIKeyXQQTYBSWEFRFLN-UHFFFAOYSA-N
XLogP0.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
N-(5-chloropentyl)methanesulfonamide
CID 107322792
N-(5-bromopentyl)methanesulfonamide
CID 107323102
methanesulfonic acid;4-methoxybutan-1-ol
CID 71419271
N-(5-iodopentyl)methanesulfonamide
CID 107322901
1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide
CID 106002074
2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
CID 106336845
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
CID 106092786
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)methanesulfonamide?
The IUPAC name of N-(5-methoxypentyl)methanesulfonamide (CID 103632034) is N-(5-methoxypentyl)methanesulfonamide.
What is the SMILES notation for N-(5-methoxypentyl)methanesulfonamide?
The canonical SMILES for N-(5-methoxypentyl)methanesulfonamide is COCCCCCNS(C)(=O)=O.
What is the InChIKey of N-(5-methoxypentyl)methanesulfonamide?
The InChIKey is XQQTYBSWEFRFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-11-7-5-3-4-6-8-12(2,9)10/h8H,3-7H2,1-2H3.
What are the key properties of N-(5-methoxypentyl)methanesulfonamide?
N-(5-methoxypentyl)methanesulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)methanesulfonamide is sourced from PubChem (CID 103632034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).