N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide

C10H22N2O3S — CID 168740666

IUPACN-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCS(=O)(=O)CCN
InChIInChI=1S/C10H22N2O3S/c1-10(2,3)8-9(13)12-5-7-16(14,15)6-4-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyBUDJQOPLYRIUHM-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.09
Rot. Bonds6

About N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide

N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 168740666) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide
PubChem CID168740666
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCS(=O)(=O)CCN
InChIInChI=1S/C10H22N2O3S/c1-10(2,3)8-9(13)12-5-7-16(14,15)6-4-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyBUDJQOPLYRIUHM-UHFFFAOYSA-N
XLogP-0.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302363
4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide
CID 103810364
2-(2-aminoethylsulfonyl)-N-butylacetamide
CID 79015229
3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106336943
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106337531
3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid
CID 62933176
4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 106334761
(2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid
CID 88580674
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide
CID 156532549

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide (CID 168740666) is N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCS(=O)(=O)CCN.
What is the InChIKey of N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is BUDJQOPLYRIUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-10(2,3)8-9(13)12-5-7-16(14,15)6-4-11/h4-8,11H2,1-3H3,(H,12,13).
What are the key properties of N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide?
N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 250.36 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 168740666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).