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

Analyze N,N-diethyl-3-methylpentane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylpentane-1-sulfonate
CID 22945238
N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide
CID 79471044
N-ethyl-4-(methylamino)-N-(2-methylbutyl)butane-1-sulfonamide
CID 79469772
N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide
CID 79470902
(2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide
CID 97095663
3-[ethyl(3-methylbutylsulfonyl)amino]-2-methylpropanethioamide
CID 55259569
N-(3-amino-2-methylpropyl)-N-ethyl-2-methylsulfonylethanesulfonamide
CID 55173886
2-amino-N-ethyl-N-(2-ethylbutyl)ethanesulfonamide
CID 61437362
2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide
CID 79481705
N-(2-chloroethyl)-3-methyl-N-propylbutane-1-sulfonamide
CID 63856983
N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
CID 79594432
3-methylheptane;oxotitanium
CID 174602327

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).