N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide

C19H32N2O4S — CID 131943026

IUPACN-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCCC12CC3CC(O)(C1)CC(C(=O)N1CCC(NS(C)(=O)=O)CC1)(C3)C2
InChIInChI=1S/C19H32N2O4S/c1-3-17-8-14-9-18(11-17,13-19(23,10-14)12-17)16(22)21-6-4-15(5-7-21)20-26(2,24)25/h14-15,20,23H,3-13H2,1-2H3
InChIKeyBCFSQEXHRWDZJY-UHFFFAOYSA-N
MW384.54 g/mol
LogP1.64
Rot. Bonds4

About N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide

N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 131943026) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID131943026
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC NameN-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCCC12CC3CC(O)(C1)CC(C(=O)N1CCC(NS(C)(=O)=O)CC1)(C3)C2
InChIInChI=1S/C19H32N2O4S/c1-3-17-8-14-9-18(11-17,13-19(23,10-14)12-17)16(22)21-6-4-15(5-7-21)20-26(2,24)25/h14-15,20,23H,3-13H2,1-2H3
InChIKeyBCFSQEXHRWDZJY-UHFFFAOYSA-N
XLogP1.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide (CID 131943026) is N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide is CCC12CC3CC(O)(C1)CC(C(=O)N1CCC(NS(C)(=O)=O)CC1)(C3)C2.
What is the InChIKey of N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is BCFSQEXHRWDZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-3-17-8-14-9-18(11-17,13-19(23,10-14)12-17)16(22)21-6-4-15(5-7-21)20-26(2,24)25/h14-15,20,23H,3-13H2,1-2H3.
What are the key properties of N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 384.54 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 131943026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).