3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide

C12H27N3O3S — CID 106337101

IUPAC3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide
SMILESCCNS(=O)(=O)CCNC(=O)CC(CN)CC(C)C
InChIInChI=1S/C12H27N3O3S/c1-4-15-19(17,18)6-5-14-12(16)8-11(9-13)7-10(2)3/h10-11,15H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyBSYREVJWFUGBEV-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.05
Rot. Bonds10

About 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide

3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide (PubChem CID 106337101) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide
PubChem CID106337101
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide
SMILESCCNS(=O)(=O)CCNC(=O)CC(CN)CC(C)C
InChIInChI=1S/C12H27N3O3S/c1-4-15-19(17,18)6-5-14-12(16)8-11(9-13)7-10(2)3/h10-11,15H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyBSYREVJWFUGBEV-UHFFFAOYSA-N
XLogP0.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide
CID 103307564
(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
CID 83110554
(3S)-3-(aminomethyl)-N-ethylsulfonyl-5-methylhexanamide
CID 103307051
6-amino-4-ethyl-N-[2-(ethylsulfamoyl)ethyl]hexanamide
CID 106337136
3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937
(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152919
3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide
CID 107842492
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
N-[2-(ethylsulfamoyl)ethyl]-4-hydroxypentanamide
CID 106342894
(3S)-3-(aminomethyl)-5-methyl-N-[(E)-pent-3-enyl]hexanamide
CID 104861311
(3S)-3-(aminomethyl)-N-(2-hydroxypentyl)-5-methylhexanamide
CID 113495819
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106335462

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide (CID 106337101) is 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide is CCNS(=O)(=O)CCNC(=O)CC(CN)CC(C)C.
What is the InChIKey of 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide?
The InChIKey is BSYREVJWFUGBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-4-15-19(17,18)6-5-14-12(16)8-11(9-13)7-10(2)3/h10-11,15H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide?
3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide has a molecular weight of 293.43 g/mol, XLogP of 0.05, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide is sourced from PubChem (CID 106337101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).