4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide

C13H29N3O3S — CID 106337200

IUPAC4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide
SMILESCCCC(CCN)CCC(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C13H29N3O3S/c1-4-5-12(8-9-14)6-7-13(17)15-10-11-20(18,19)16(2)3/h12H,4-11,14H2,1-3H3,(H,15,17)
InChIKeySBIHRZOIZIJLPA-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.54
Rot. Bonds11

About 4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide

4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide (PubChem CID 106337200) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide
PubChem CID106337200
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC Name4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide
SMILESCCCC(CCN)CCC(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C13H29N3O3S/c1-4-5-12(8-9-14)6-7-13(17)15-10-11-20(18,19)16(2)3/h12H,4-11,14H2,1-3H3,(H,15,17)
InChIKeySBIHRZOIZIJLPA-UHFFFAOYSA-N
XLogP0.54
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-4-ethyl-N-[2-(ethylsulfamoyl)ethyl]hexanamide
CID 106337136
4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
CID 82941851
4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
CID 106286630
4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid
CID 106334792
4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide
CID 79376552
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
2-amino-N-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]acetamide
CID 114175259
6-amino-4-ethyl-N-(2-hydroxypentyl)hexanamide
CID 113495822
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106335493
4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
CID 114942376
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
CID 106337551

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide (CID 106337200) is 4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide is CCCC(CCN)CCC(=O)NCCS(=O)(=O)N(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide?
The InChIKey is SBIHRZOIZIJLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-4-5-12(8-9-14)6-7-13(17)15-10-11-20(18,19)16(2)3/h12H,4-11,14H2,1-3H3,(H,15,17).
What are the key properties of 4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide?
4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide has a molecular weight of 307.46 g/mol, XLogP of 0.54, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide is sourced from PubChem (CID 106337200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).