N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide

C14H27N3O3S — CID 79381999

IUPACN-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide
SMILESO=C(CCCNS(=O)(=O)CCC1CCCCN1)NC1CC1
InChIInChI=1S/C14H27N3O3S/c18-14(17-13-6-7-13)5-3-10-16-21(19,20)11-8-12-4-1-2-9-15-12/h12-13,15-16H,1-11H2,(H,17,18)
InChIKeyZXMYTVBGNUPXBJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.50
Rot. Bonds9

About N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide

N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide (PubChem CID 79381999) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide
PubChem CID79381999
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide
SMILESO=C(CCCNS(=O)(=O)CCC1CCCCN1)NC1CC1
InChIInChI=1S/C14H27N3O3S/c18-14(17-13-6-7-13)5-3-10-16-21(19,20)11-8-12-4-1-2-9-15-12/h12-13,15-16H,1-11H2,(H,17,18)
InChIKeyZXMYTVBGNUPXBJ-UHFFFAOYSA-N
XLogP0.50
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[(2-piperidin-2-ylacetyl)amino]butanamide
CID 79400638
4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide
CID 79394622
N-(4-hydroxycyclohexyl)-3-piperidin-2-ylpropanamide
CID 62212049
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842
N-[2-(ethylsulfamoyl)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 106339620
3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972503
N-(2-methoxyethyl)-2-piperidin-2-ylethanesulfonamide
CID 60865631
3-[2-[(2S)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972731
N-ethyl-2-(2-piperidin-2-ylethylsulfonylamino)acetamide
CID 60863848
2-[2-(2-piperidin-2-ylethylsulfonylamino)ethoxy]acetamide
CID 106237551
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide (CID 79381999) is N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide is O=C(CCCNS(=O)(=O)CCC1CCCCN1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide?
The InChIKey is ZXMYTVBGNUPXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c18-14(17-13-6-7-13)5-3-10-16-21(19,20)11-8-12-4-1-2-9-15-12/h12-13,15-16H,1-11H2,(H,17,18).
What are the key properties of N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide?
N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide has a molecular weight of 317.46 g/mol, XLogP of 0.50, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide is sourced from PubChem (CID 79381999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).