N,N-dipentylethanesulfonamide

C12H27NO2S — CID 3453334

IUPACN,N-dipentylethanesulfonamide
SMILESCCCCCN(CCCCC)S(=O)(=O)CC
InChIInChI=1S/C12H27NO2S/c1-4-7-9-11-13(12-10-8-5-2)16(14,15)6-3/h4-12H2,1-3H3
InChIKeyHHRYWYUWOQTJQH-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.02
Rot. Bonds10

About N,N-dipentylethanesulfonamide

N,N-dipentylethanesulfonamide (PubChem CID 3453334) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N,N-dipentylethanesulfonamide.

Molecular Properties

Compound NameN,N-dipentylethanesulfonamide
PubChem CID3453334
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN,N-dipentylethanesulfonamide
SMILESCCCCCN(CCCCC)S(=O)(=O)CC
InChIInChI=1S/C12H27NO2S/c1-4-7-9-11-13(12-10-8-5-2)16(14,15)6-3/h4-12H2,1-3H3
InChIKeyHHRYWYUWOQTJQH-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
2-[heptyl(3-hydroxypropyl)sulfamoyl]acetic acid
CID 55028849
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
bis(N,N-dihexylhexan-1-amine);sulfuric acid
CID 71357248
N,N-dihexylhexan-1-amine;sulfuric acid
CID 172853690
N,N-bis(6-cyanohexyl)pentane-1-sulfonamide
CID 161351187
N,N-bis(9-cyanononyl)nonane-1-sulfonamide
CID 161312679
N,N-bis(7-cyanoheptyl)heptane-1-sulfonamide
CID 172815352
bis(N,N-dimethylnonadecan-1-amine);sulfuric acid
CID 175167546
N-decyl-N-dodecylhydroxylamine
CID 151707485

Frequently Asked Questions

What is the IUPAC name of N,N-dipentylethanesulfonamide?
The IUPAC name of N,N-dipentylethanesulfonamide (CID 3453334) is N,N-dipentylethanesulfonamide.
What is the SMILES notation for N,N-dipentylethanesulfonamide?
The canonical SMILES for N,N-dipentylethanesulfonamide is CCCCCN(CCCCC)S(=O)(=O)CC.
What is the InChIKey of N,N-dipentylethanesulfonamide?
The InChIKey is HHRYWYUWOQTJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-4-7-9-11-13(12-10-8-5-2)16(14,15)6-3/h4-12H2,1-3H3.
What are the key properties of N,N-dipentylethanesulfonamide?
N,N-dipentylethanesulfonamide has a molecular weight of 249.42 g/mol, XLogP of 3.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentylethanesulfonamide is sourced from PubChem (CID 3453334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).