2-(2-aminoethylsulfonyl)-N-butylacetamide

C8H18N2O3S — CID 79015229

IUPAC2-(2-aminoethylsulfonyl)-N-butylacetamide
SMILESCCCCNC(=O)CS(=O)(=O)CCN
InChIInChI=1S/C8H18N2O3S/c1-2-3-5-10-8(11)7-14(12,13)6-4-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyYELDJXIORZFUPD-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.72
Rot. Bonds7

About 2-(2-aminoethylsulfonyl)-N-butylacetamide

2-(2-aminoethylsulfonyl)-N-butylacetamide (PubChem CID 79015229) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-N-butylacetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-N-butylacetamide
PubChem CID79015229
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-(2-aminoethylsulfonyl)-N-butylacetamide
SMILESCCCCNC(=O)CS(=O)(=O)CCN
InChIInChI=1S/C8H18N2O3S/c1-2-3-5-10-8(11)7-14(12,13)6-4-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyYELDJXIORZFUPD-UHFFFAOYSA-N
XLogP-0.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(2-hydroxyethylsulfonyl)acetamide
CID 82181707
N-propyl-2-propylsulfonylacetamide
CID 86989509
5-[(2-propylsulfonylacetyl)amino]pentanoic acid
CID 119234428
methyl 3-[2-(2-aminoethylamino)-2-oxoethyl]sulfonylpropanoate
CID 64697428
N-(2-aminoethyl)nonanamide
CID 13028008
1-(2-aminoethyl)-3-butylurea;oxalic acid
CID 22754877
2-[3-(2-aminoethylamino)-3-oxopropyl]sulfonylacetic acid
CID 82182739
N-(2-amino-2-ethylbutyl)-2-propylsulfonylacetamide
CID 119640214
methyl 2-[3-(2-aminoethylamino)-3-oxopropyl]sulfonylacetate
CID 82182738
1-(2-aminoethyl)-3-pentylurea
CID 87091814
N-(6-aminohexyl)-2-methylsulfonylacetamide
CID 107843916
3-amino-N-butylpropanamide;butane;ethane;pentane
CID 143654511

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-N-butylacetamide?
The IUPAC name of 2-(2-aminoethylsulfonyl)-N-butylacetamide (CID 79015229) is 2-(2-aminoethylsulfonyl)-N-butylacetamide.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-N-butylacetamide?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-N-butylacetamide is CCCCNC(=O)CS(=O)(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-N-butylacetamide?
The InChIKey is YELDJXIORZFUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-2-3-5-10-8(11)7-14(12,13)6-4-9/h2-7,9H2,1H3,(H,10,11).
What are the key properties of 2-(2-aminoethylsulfonyl)-N-butylacetamide?
2-(2-aminoethylsulfonyl)-N-butylacetamide has a molecular weight of 222.31 g/mol, XLogP of -0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)-N-butylacetamide is sourced from PubChem (CID 79015229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).