(3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone

C11H15IN2OS — CID 79506771

IUPAC(3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(I)c2)CCN1
InChIInChI=1S/C11H15IN2OS/c1-11(2)7-14(4-3-13-11)10(15)8-5-9(12)16-6-8/h5-6,13H,3-4,7H2,1-2H3
InChIKeyHHDHFLJJDFESFG-UHFFFAOYSA-N
MW350.23 g/mol
LogP2.18
Rot. Bonds1

About (3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone

(3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone (PubChem CID 79506771) has the molecular formula C11H15IN2OS and a molecular weight of 350.23 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone
PubChem CID79506771
Molecular FormulaC11H15IN2OS
Molecular Weight350.23 g/mol
Exact Mass349.99
IUPAC Name(3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(I)c2)CCN1
InChIInChI=1S/C11H15IN2OS/c1-11(2)7-14(4-3-13-11)10(15)8-5-9(12)16-6-8/h5-6,13H,3-4,7H2,1-2H3
InChIKeyHHDHFLJJDFESFG-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 103722220
(3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 79036702
(3,3-dimethylpiperazin-1-yl)-(3-iodophenyl)methanone
CID 79505899
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 120816536
(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 79015249
(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015493
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 120816535
4-(5-iodothiophene-3-carbonyl)piperazin-2-one
CID 56783410
(3-bromo-5-fluorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79507160
(4-bromo-3-methylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 112706000
(3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 79014932
(2,6-dihydroxyphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 107688424

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone (CID 79506771) is (3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone is CC1(C)CN(C(=O)c2csc(I)c2)CCN1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is HHDHFLJJDFESFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2OS/c1-11(2)7-14(4-3-13-11)10(15)8-5-9(12)16-6-8/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone?
(3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 350.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 79506771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).