3-(ethylamino)-N-ethylsulfonylbutanamide

C8H18N2O3S — CID 103307032

IUPAC3-(ethylamino)-N-ethylsulfonylbutanamide
SMILESCCNC(C)CC(=O)NS(=O)(=O)CC
InChIInChI=1S/C8H18N2O3S/c1-4-9-7(3)6-8(11)10-14(12,13)5-2/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeyXUWFKKKEYSVMHL-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.16
Rot. Bonds6

About 3-(ethylamino)-N-ethylsulfonylbutanamide

3-(ethylamino)-N-ethylsulfonylbutanamide (PubChem CID 103307032) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(ethylamino)-N-ethylsulfonylbutanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-ethylsulfonylbutanamide
PubChem CID103307032
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-(ethylamino)-N-ethylsulfonylbutanamide
SMILESCCNC(C)CC(=O)NS(=O)(=O)CC
InChIInChI=1S/C8H18N2O3S/c1-4-9-7(3)6-8(11)10-14(12,13)5-2/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeyXUWFKKKEYSVMHL-UHFFFAOYSA-N
XLogP-0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethylsulfonyl-2-(propan-2-ylamino)acetamide
CID 103306965
3-(ethylamino)-N',N'-dimethylbutanehydrazide
CID 83021084
3-(ethylamino)butanamide
CID 18792210
(3S)-3-(aminomethyl)-N-ethylsulfonyl-5-methylhexanamide
CID 103307051
N-butyl-3-(ethylamino)butanamide
CID 62838234
N-(2,2-dimethylpropyl)-3-(ethylamino)butanamide
CID 62838899
3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
CID 62837477
3-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82724015
3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
CID 62833119
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide
CID 62838445
4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid
CID 81073006
N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide
CID 103461491

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-ethylsulfonylbutanamide?
The IUPAC name of 3-(ethylamino)-N-ethylsulfonylbutanamide (CID 103307032) is 3-(ethylamino)-N-ethylsulfonylbutanamide.
What is the SMILES notation for 3-(ethylamino)-N-ethylsulfonylbutanamide?
The canonical SMILES for 3-(ethylamino)-N-ethylsulfonylbutanamide is CCNC(C)CC(=O)NS(=O)(=O)CC.
What is the InChIKey of 3-(ethylamino)-N-ethylsulfonylbutanamide?
The InChIKey is XUWFKKKEYSVMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-4-9-7(3)6-8(11)10-14(12,13)5-2/h7,9H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-(ethylamino)-N-ethylsulfonylbutanamide?
3-(ethylamino)-N-ethylsulfonylbutanamide has a molecular weight of 222.31 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-ethylsulfonylbutanamide is sourced from PubChem (CID 103307032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).