N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide

C12H27NO3S — CID 170639042

IUPACN-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide
SMILESCCCCCOCCCN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C12H27NO3S/c1-5-6-7-10-16-11-8-9-13(4)17(14,15)12(2)3/h12H,5-11H2,1-4H3
InChIKeyREVQLJACGGIHCI-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.25
Rot. Bonds10

About N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide

N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide (PubChem CID 170639042) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide
PubChem CID170639042
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC NameN-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide
SMILESCCCCCOCCCN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C12H27NO3S/c1-5-6-7-10-16-11-8-9-13(4)17(14,15)12(2)3/h12H,5-11H2,1-4H3
InChIKeyREVQLJACGGIHCI-UHFFFAOYSA-N
XLogP2.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
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-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide?
The IUPAC name of N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide (CID 170639042) is N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide is CCCCCOCCCN(C)S(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide?
The InChIKey is REVQLJACGGIHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-5-6-7-10-16-11-8-9-13(4)17(14,15)12(2)3/h12H,5-11H2,1-4H3.
What are the key properties of N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide?
N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 2.25, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide is sourced from PubChem (CID 170639042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).