N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide

C13H27N3O4S — CID 120598489

IUPACN-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
SMILESCC1CC(NC(=O)CNS(=O)(=O)CCOC(C)C)CCN1
InChIInChI=1S/C13H27N3O4S/c1-10(2)20-6-7-21(18,19)15-9-13(17)16-12-4-5-14-11(3)8-12/h10-12,14-15H,4-9H2,1-3H3,(H,16,17)
InChIKeyPONOOBOKFVAXEW-UHFFFAOYSA-N
MW321.44 g/mol
LogP-0.41
Rot. Bonds8

About N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide

N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide (PubChem CID 120598489) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
PubChem CID120598489
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC NameN-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
SMILESCC1CC(NC(=O)CNS(=O)(=O)CCOC(C)C)CCN1
InChIInChI=1S/C13H27N3O4S/c1-10(2)20-6-7-21(18,19)15-9-13(17)16-12-4-5-14-11(3)8-12/h10-12,14-15H,4-9H2,1-3H3,(H,16,17)
InChIKeyPONOOBOKFVAXEW-UHFFFAOYSA-N
XLogP-0.41
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229868
N-(2-methylpiperidin-3-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 120573960
N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
CID 115674519
2-methoxy-N-(2-methylpiperidin-4-yl)propanamide
CID 106995606
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 119572623
3-methyl-N-(2-methylpiperidin-4-yl)hexanamide
CID 120598747
N-cyclopropyl-2-(2-propan-2-yloxyethylamino)acetamide
CID 60697253
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
N-(piperidin-2-ylmethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593606
2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide
CID 120601223
2-cyclobutyl-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120599149
2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995576

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide (CID 120598489) is N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide is CC1CC(NC(=O)CNS(=O)(=O)CCOC(C)C)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide?
The InChIKey is PONOOBOKFVAXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-10(2)20-6-7-21(18,19)15-9-13(17)16-12-4-5-14-11(3)8-12/h10-12,14-15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide?
N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide has a molecular weight of 321.44 g/mol, XLogP of -0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide is sourced from PubChem (CID 120598489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).