(5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide

C16H25ClN2O3S — CID 98753510

IUPAC(5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCN1CCCS1(=O)=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2
InChIInChI=1S/C16H25ClN2O3S/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14(20)18-2-4-19-3-1-5-23(19,21)22/h12-13H,1-11H2,(H,18,20)/t12-,13-,15?,16?/m1/s1
InChIKeyDWWSEHWNTURWHE-KCNJBTMXSA-N
MW360.91 g/mol
LogP1.72
Rot. Bonds4

About (5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide

(5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide (PubChem CID 98753510) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is (5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name(5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide
PubChem CID98753510
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name(5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCN1CCCS1(=O)=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2
InChIInChI=1S/C16H25ClN2O3S/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14(20)18-2-4-19-3-1-5-23(19,21)22/h12-13H,1-11H2,(H,18,20)/t12-,13-,15?,16?/m1/s1
InChIKeyDWWSEHWNTURWHE-KCNJBTMXSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide 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 (5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of (5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide (CID 98753510) is (5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for (5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for (5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide is O=C(NCCN1CCCS1(=O)=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2.
What is the InChIKey of (5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is DWWSEHWNTURWHE-KCNJBTMXSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14(20)18-2-4-19-3-1-5-23(19,21)22/h12-13H,1-11H2,(H,18,20)/t12-,13-,15?,16?/m1/s1.
What are the key properties of (5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide?
(5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 360.91 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 98753510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).