N-ethyl-N-methylheptane-1-sulfonamide

C10H23NO2S — CID 131966885

IUPACN-ethyl-N-methylheptane-1-sulfonamide
SMILESCCCCCCCS(=O)(=O)N(C)CC
InChIInChI=1S/C10H23NO2S/c1-4-6-7-8-9-10-14(12,13)11(3)5-2/h4-10H2,1-3H3
InChIKeyBFNAARZGSMCNQQ-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.24
Rot. Bonds8

About N-ethyl-N-methylheptane-1-sulfonamide

N-ethyl-N-methylheptane-1-sulfonamide (PubChem CID 131966885) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-ethyl-N-methylheptane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-methylheptane-1-sulfonamide
PubChem CID131966885
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-N-methylheptane-1-sulfonamide
SMILESCCCCCCCS(=O)(=O)N(C)CC
InChIInChI=1S/C10H23NO2S/c1-4-6-7-8-9-10-14(12,13)11(3)5-2/h4-10H2,1-3H3
InChIKeyBFNAARZGSMCNQQ-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.24
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-dimethylheptane-1-sulfonamide
CID 118391256
N-butylsulfonyl-N-methylhexane-1-sulfonamide
CID 167138373
triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium
CID 73352537
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
N,N-diaminopentane-1-sulfonamide
CID 88729680
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
N-butylsulfonyl-N-oxidopentane-1-sulfonamide
CID 163844134
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
1-methylsulfonylnonane
CID 19089493

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylheptane-1-sulfonamide?
The IUPAC name of N-ethyl-N-methylheptane-1-sulfonamide (CID 131966885) is N-ethyl-N-methylheptane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-methylheptane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-methylheptane-1-sulfonamide is CCCCCCCS(=O)(=O)N(C)CC.
What is the InChIKey of N-ethyl-N-methylheptane-1-sulfonamide?
The InChIKey is BFNAARZGSMCNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-4-6-7-8-9-10-14(12,13)11(3)5-2/h4-10H2,1-3H3.
What are the key properties of N-ethyl-N-methylheptane-1-sulfonamide?
N-ethyl-N-methylheptane-1-sulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylheptane-1-sulfonamide is sourced from PubChem (CID 131966885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).