(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone

C12H17IN2OS — CID 120816536

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(I)c2)CCC1N
InChIInChI=1S/C12H17IN2OS/c1-12(2)7-15(4-3-9(12)14)11(16)8-5-10(13)17-6-8/h5-6,9H,3-4,7,14H2,1-2H3
InChIKeyNQKOCAOVJFTVTJ-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.55
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone (PubChem CID 120816536) has the molecular formula C12H17IN2OS and a molecular weight of 364.25 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
PubChem CID120816536
Molecular FormulaC12H17IN2OS
Molecular Weight364.25 g/mol
Exact Mass364.01
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(I)c2)CCC1N
InChIInChI=1S/C12H17IN2OS/c1-12(2)7-15(4-3-9(12)14)11(16)8-5-10(13)17-6-8/h5-6,9H,3-4,7,14H2,1-2H3
InChIKeyNQKOCAOVJFTVTJ-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone 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

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 120816535
(3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 79036702
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-iodophenyl)methanone;hydrochloride
CID 120819588
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone
CID 120815056
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78950588
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide
CID 78948632
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone (CID 120816536) is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone is CC1(C)CN(C(=O)c2csc(I)c2)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is NQKOCAOVJFTVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2OS/c1-12(2)7-15(4-3-9(12)14)11(16)8-5-10(13)17-6-8/h5-6,9H,3-4,7,14H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 364.25 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 120816536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).