N-(1-methoxypentan-2-yl)ethanesulfonamide

C8H19NO3S — CID 64585946

IUPACN-(1-methoxypentan-2-yl)ethanesulfonamide
SMILESCCCC(COC)NS(=O)(=O)CC
InChIInChI=1S/C8H19NO3S/c1-4-6-8(7-12-3)9-13(10,11)5-2/h8-9H,4-7H2,1-3H3
InChIKeyLKXTXBIKKDOVCT-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.74
Rot. Bonds7

About N-(1-methoxypentan-2-yl)ethanesulfonamide

N-(1-methoxypentan-2-yl)ethanesulfonamide (PubChem CID 64585946) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)ethanesulfonamide
PubChem CID64585946
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(1-methoxypentan-2-yl)ethanesulfonamide
SMILESCCCC(COC)NS(=O)(=O)CC
InChIInChI=1S/C8H19NO3S/c1-4-6-8(7-12-3)9-13(10,11)5-2/h8-9H,4-7H2,1-3H3
InChIKeyLKXTXBIKKDOVCT-UHFFFAOYSA-N
XLogP0.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 103887492
N-(1-methoxypentan-2-yl)formamide
CID 64991687
5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 106068509
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide
CID 106068439
N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103861215
3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068484
5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068482
5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068431
5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide
CID 106068581
3-(aminomethyl)-5-chloro-N-(1-methoxypentan-2-yl)-2-methylbenzenesulfonamide
CID 106068571
5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide
CID 114166270

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)ethanesulfonamide?
The IUPAC name of N-(1-methoxypentan-2-yl)ethanesulfonamide (CID 64585946) is N-(1-methoxypentan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-methoxypentan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(1-methoxypentan-2-yl)ethanesulfonamide is CCCC(COC)NS(=O)(=O)CC.
What is the InChIKey of N-(1-methoxypentan-2-yl)ethanesulfonamide?
The InChIKey is LKXTXBIKKDOVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-4-6-8(7-12-3)9-13(10,11)5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(1-methoxypentan-2-yl)ethanesulfonamide?
N-(1-methoxypentan-2-yl)ethanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)ethanesulfonamide is sourced from PubChem (CID 64585946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).