N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide

C9H19NO3S — CID 62733682

IUPACN,N-diethyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-3-10(4-2)14(11,12)8-9-6-5-7-13-9/h9H,3-8H2,1-2H3
InChIKeyFMTILZCCQDQCKK-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds5

About N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide

N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 62733682) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID62733682
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN,N-diethyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-3-10(4-2)14(11,12)8-9-6-5-7-13-9/h9H,3-8H2,1-2H3
InChIKeyFMTILZCCQDQCKK-UHFFFAOYSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 97070753
N-(2,2-dimethylpropyl)-N-methyl-2-(oxolan-2-yl)ethanesulfonamide
CID 71851179
1-(2-Propan-2-yloxyethylsulfonyl)pyrrolidine
CID 79229197
N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide
CID 89402753
N-methyl-N-propan-2-yloxolane-3-sulfonamide
CID 131084597
2-(4-Methoxypentyl)-1,2-thiazolidine 1,1-dioxide
CID 170129985
N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide
CID 170639042
N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
CID 55137240
N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
CID 55219929
N,N-dimethyl-1-(oxolan-2-yl)methanesulfonamide
CID 62732376
N-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
CID 62732566
1-(Oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 62732739

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide (CID 62733682) is N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide is CCN(CC)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is FMTILZCCQDQCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-10(4-2)14(11,12)8-9-6-5-7-13-9/h9H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide?
N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 62733682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).