N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine

C13H21N3O2S — CID 63921817

IUPACN-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine
SMILESO=S1(=O)CCCC(NC2CCCC2n2ccnc2)C1
InChIInChI=1S/C13H21N3O2S/c17-19(18)8-2-3-11(9-19)15-12-4-1-5-13(12)16-7-6-14-10-16/h6-7,10-13,15H,1-5,8-9H2
InChIKeyQTFGEJRTLVYZQC-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.14
Rot. Bonds3

About N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine

N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine (PubChem CID 63921817) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine
PubChem CID63921817
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine
SMILESO=S1(=O)CCCC(NC2CCCC2n2ccnc2)C1
InChIInChI=1S/C13H21N3O2S/c17-19(18)8-2-3-11(9-19)15-12-4-1-5-13(12)16-7-6-14-10-16/h6-7,10-13,15H,1-5,8-9H2
InChIKeyQTFGEJRTLVYZQC-UHFFFAOYSA-N
XLogP1.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine
CID 113361486
2-imidazol-1-yl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43734339
trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol
CID 130610256
3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112633655
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
2-imidazol-1-yl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 43734408
5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide
CID 43701618
N-(2-imidazol-1-ylcyclopentyl)-2-(methylamino)acetamide
CID 43713522
(1R)-2-imidazol-1-ylcyclopentan-1-ol
CID 126638483
N-butyl-2-imidazol-1-ylcyclopentan-1-amine
CID 43734458
2-imidazol-1-yl-N-pentan-2-ylcyclopentan-1-amine
CID 43734394
2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide
CID 103755463

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine?
The IUPAC name of N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine (CID 63921817) is N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine.
What is the SMILES notation for N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine?
The canonical SMILES for N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine is O=S1(=O)CCCC(NC2CCCC2n2ccnc2)C1.
What is the InChIKey of N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine?
The InChIKey is QTFGEJRTLVYZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c17-19(18)8-2-3-11(9-19)15-12-4-1-5-13(12)16-7-6-14-10-16/h6-7,10-13,15H,1-5,8-9H2.
What are the key properties of N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine?
N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine has a molecular weight of 283.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine is sourced from PubChem (CID 63921817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).