N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide

C14H29N3O3S — CID 61275650

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CCCNC(C)C)CC1
InChIInChI=1S/C14H29N3O3S/c1-4-21(19,20)17-10-7-13(8-11-17)16-14(18)6-5-9-15-12(2)3/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyQTUSEGZBMSLPTI-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.69
Rot. Bonds8

About N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide

N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide (PubChem CID 61275650) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide
PubChem CID61275650
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CCCNC(C)C)CC1
InChIInChI=1S/C14H29N3O3S/c1-4-21(19,20)17-10-7-13(8-11-17)16-14(18)6-5-9-15-12(2)3/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyQTUSEGZBMSLPTI-UHFFFAOYSA-N
XLogP0.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide
CID 62834981
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 60841652
N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide
CID 60947455
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 61274504
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923
N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide
CID 60850780
N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
CID 79394021

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide (CID 61275650) is N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide is CCS(=O)(=O)N1CCC(NC(=O)CCCNC(C)C)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide?
The InChIKey is QTUSEGZBMSLPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-4-21(19,20)17-10-7-13(8-11-17)16-14(18)6-5-9-15-12(2)3/h12-13,15H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide?
N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide has a molecular weight of 319.47 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 61275650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).