N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine

C11H24N2O4S2 — CID 65093523

IUPACN-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)CCCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O4S2/c1-3-19(16,17)10-4-7-12-11-5-8-13(9-6-11)18(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyYPHGLAXRLLHZCQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.18
Rot. Bonds7

About N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine

N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 65093523) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID65093523
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC NameN-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)CCCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O4S2/c1-3-19(16,17)10-4-7-12-11-5-8-13(9-6-11)18(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyYPHGLAXRLLHZCQ-UHFFFAOYSA-N
XLogP-0.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine 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

N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927
N-heptyl-1-propylsulfonylpiperidin-4-amine
CID 43747983
N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine
CID 63004730
N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
CID 114472064
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483
1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol
CID 60887095

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine (CID 65093523) is N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine is CCS(=O)(=O)CCCNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is YPHGLAXRLLHZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-3-19(16,17)10-4-7-12-11-5-8-13(9-6-11)18(2,14)15/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine?
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 312.46 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 65093523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).