2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide

C14H29N3O4S — CID 119784170

IUPAC2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCCS(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C14H29N3O4S/c1-3-7-14(2,15)13(18)16-8-10-22(19,20)17-11-12-6-4-5-9-21-12/h12,17H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyJLGLCAPUUKQKMJ-UHFFFAOYSA-N
MW335.47 g/mol
LogP0.11
Rot. Bonds9

About 2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide

2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide (PubChem CID 119784170) has the molecular formula C14H29N3O4S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide
PubChem CID119784170
Molecular FormulaC14H29N3O4S
Molecular Weight335.47 g/mol
Exact Mass335.19
IUPAC Name2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCCS(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C14H29N3O4S/c1-3-7-14(2,15)13(18)16-8-10-22(19,20)17-11-12-6-4-5-9-21-12/h12,17H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyJLGLCAPUUKQKMJ-UHFFFAOYSA-N
XLogP0.11
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-methylpentanamide
CID 119782577
2-butyl-1-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111811193
2-(2-methylprop-2-enyl)-1-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111811166
1-ethyl-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111827652
N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119323923
2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide
CID 119323946
N-(oxolan-2-ylmethyl)-2-(propylsulfonylamino)acetamide
CID 112991356
9-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989604
N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119323925
2-amino-2-methyl-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119300308
1,3-diethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111117769
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111830458

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide (CID 119784170) is 2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide is CCCC(C)(N)C(=O)NCCS(=O)(=O)NCC1CCCCO1.
What is the InChIKey of 2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide?
The InChIKey is JLGLCAPUUKQKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4S/c1-3-7-14(2,15)13(18)16-8-10-22(19,20)17-11-12-6-4-5-9-21-12/h12,17H,3-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide?
2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide has a molecular weight of 335.47 g/mol, XLogP of 0.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide is sourced from PubChem (CID 119784170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).