N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide

C13H27N3O4S — CID 119572623

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
SMILESCC(C)OCCS(=O)(=O)NCC(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C13H27N3O4S/c1-10(2)20-6-7-21(18,19)15-8-12(17)16-13(3,9-14)11-4-5-11/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)
InChIKeyCABUZWDQTKUASI-UHFFFAOYSA-N
MW321.44 g/mol
LogP-0.43
Rot. Bonds10

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide (PubChem CID 119572623) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
PubChem CID119572623
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
SMILESCC(C)OCCS(=O)(=O)NCC(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C13H27N3O4S/c1-10(2)20-6-7-21(18,19)15-8-12(17)16-13(3,9-14)11-4-5-11/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)
InChIKeyCABUZWDQTKUASI-UHFFFAOYSA-N
XLogP-0.43
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methylpentan-2-yloxy)propanamide
CID 119575565
4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229868
N-(3-aminopropyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119405243
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride
CID 119575449
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide
CID 119631281
N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 120598489
N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methylhexanamide;hydrochloride
CID 119574117
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119573275
N-(2-methylpiperidin-3-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 120573960

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide (CID 119572623) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide is CC(C)OCCS(=O)(=O)NCC(=O)NC(C)(CN)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide?
The InChIKey is CABUZWDQTKUASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-10(2)20-6-7-21(18,19)15-8-12(17)16-13(3,9-14)11-4-5-11/h10-11,15H,4-9,14H2,1-3H3,(H,16,17).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide has a molecular weight of 321.44 g/mol, XLogP of -0.43, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide is sourced from PubChem (CID 119572623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).