N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide

C13H27N3O3S — CID 115356414

IUPACN-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide
SMILESCC(C)(C)NC(=O)CNS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C13H27N3O3S/c1-13(2,3)16-12(17)10-15-20(18,19)9-6-11-4-7-14-8-5-11/h11,14-15H,4-10H2,1-3H3,(H,16,17)
InChIKeySOOIPHYWVXCGSP-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.21
Rot. Bonds6

About N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide

N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide (PubChem CID 115356414) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide
PubChem CID115356414
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide
SMILESCC(C)(C)NC(=O)CNS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C13H27N3O3S/c1-13(2,3)16-12(17)10-15-20(18,19)9-6-11-4-7-14-8-5-11/h11,14-15H,4-10H2,1-3H3,(H,16,17)
InChIKeySOOIPHYWVXCGSP-UHFFFAOYSA-N
XLogP0.21
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(piperidin-4-ylmethylamino)acetamide
CID 115356303
N-tert-butyl-2-(2-hydroxyethylsulfonylamino)acetamide
CID 115356606
N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
CID 62691627
N-(3-cyclopentylpropyl)-2-piperidin-4-ylethanesulfonamide
CID 106016429
2-(2-piperidin-4-ylethylsulfonylamino)propanamide
CID 60893069
N-benzyl-2-piperidin-4-ylethanesulfonamide
CID 60890567
1-tert-butyl-3-(piperidin-4-ylmethyl)urea
CID 28786559
2-methylsulfonyl-N-(piperidin-4-ylmethyl)ethanesulfonamide
CID 63245223
N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide
CID 60892687
N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide
CID 99859346
N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide
CID 114626598
N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide
CID 120849271

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide?
The IUPAC name of N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide (CID 115356414) is N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide is CC(C)(C)NC(=O)CNS(=O)(=O)CCC1CCNCC1.
What is the InChIKey of N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide?
The InChIKey is SOOIPHYWVXCGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-13(2,3)16-12(17)10-15-20(18,19)9-6-11-4-7-14-8-5-11/h11,14-15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide?
N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide has a molecular weight of 305.44 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide is sourced from PubChem (CID 115356414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).