N,N-diethyl-3-methylpentane-1-sulfonamide

C10H23NO2S — CID 11356480

IUPACN,N-diethyl-3-methylpentane-1-sulfonamide
SMILESCCC(C)CCS(=O)(=O)N(CC)CC
InChIInChI=1S/C10H23NO2S/c1-5-10(4)8-9-14(12,13)11(6-2)7-3/h10H,5-9H2,1-4H3
InChIKeyQFBKILRARPEORD-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.09
Rot. Bonds7

About N,N-diethyl-3-methylpentane-1-sulfonamide

N,N-diethyl-3-methylpentane-1-sulfonamide (PubChem CID 11356480) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N,N-diethyl-3-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-methylpentane-1-sulfonamide
PubChem CID11356480
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN,N-diethyl-3-methylpentane-1-sulfonamide
SMILESCCC(C)CCS(=O)(=O)N(CC)CC
InChIInChI=1S/C10H23NO2S/c1-5-10(4)8-9-14(12,13)11(6-2)7-3/h10H,5-9H2,1-4H3
InChIKeyQFBKILRARPEORD-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methylpentane-1-sulfonamide?
The IUPAC name of N,N-diethyl-3-methylpentane-1-sulfonamide (CID 11356480) is N,N-diethyl-3-methylpentane-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-methylpentane-1-sulfonamide?
The canonical SMILES for N,N-diethyl-3-methylpentane-1-sulfonamide is CCC(C)CCS(=O)(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-methylpentane-1-sulfonamide?
The InChIKey is QFBKILRARPEORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-10(4)8-9-14(12,13)11(6-2)7-3/h10H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-3-methylpentane-1-sulfonamide?
N,N-diethyl-3-methylpentane-1-sulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methylpentane-1-sulfonamide is sourced from PubChem (CID 11356480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).